S. Louie

发表

A Monte carlo simulated annealing approach to optimization over continuous variables

Steven G. Louie, David Vanderbilt, D. Vanderbilt, 1984 .

EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions

Steven G. Louie, Cheol-Hwan Park, Marvin L. Cohen, 2010, Comput. Phys. Commun..

First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides

S. Louie, Marvin L. Cohen, F. Giustino, 2008 .

Small phonon contribution to the photoemission kink in the copper oxide superconductors

S. Louie, Marvin L. Cohen, F. Giustino, 2008, Nature.

Electron-phonon interaction via electronic and lattice Wannier functions: superconductivity in boron-doped diamond reexamined.

S. Louie, Marvin L. Cohen, I. Souza, 2007, Physical review letters.

Velocity renormalization and carrier lifetime in graphene from the electron-phonon interaction.

S. Louie, Marvin L. Cohen, Cheol-Hwan Park, 2007, Physical review letters.

Origin of superconductivity in boron-doped silicon carbide from first principles

S. Louie, Marvin L. Cohen, F. Giustino, 2009 .

First-principles study of electron linewidths in graphene.

S. Louie, Marvin L. Cohen, C. Spataru, 2009, Physical review letters.

Angle-resolved photoemission spectra of graphene from first-principles calculations.

S. Louie, Marvin L. Cohen, C. Spataru, 2009, Nano letters.

The origin of the anomalous superconducting properties of MgB2

S. Louie, Marvin L. Cohen, H. Choi, 2002, Nature.

Electron-phonon interaction using Wannier functions

S. Louie, Marvin L. Cohen, F. Giustino, 2007 .

Van Hove singularity and apparent anisotropy in the electron-phonon interaction in graphene

S. Louie, T. Ohta, A. Bostwick, 2008, 0803.4031.

Electron-phonon interactions in graphene, bilayer graphene, and graphite.

S. Louie, Marvin L. Cohen, Cheol-Hwan Park, 2008, Nano letters.

Theory of Ground- and Excited State-Properties of Solids, Surfaces, and Interfaces: Beyond Density Functional Formalism - eScholarship

Steven G. Louie, S. Louie, 1988 .

Quasiparticle calculation of valence band offset of AlAs-GaAs(001)

S. Louie, Marvin L. Cohen, Shengbai Zhang, 1988 .

Pseudopotentials and Total Energy Calculations: Applications to Crystal Stability, Vibrational Properties, Phase Transformations, and Surface Structures

S. Louie, 1985 .

Tunnel-FET Switching Is Governed by Non-Lorentzian Spectral Line Shape

Steven G. Louie, Eli Yablonovitch, Sapan Agarwal, 2020, Proceedings of the IEEE.

A Structure Preserving Lanczos Algorithm for Computing the Optical Absorption Spectrum

Chao Yang, Steven G. Louie, Jack Deslippe, 2016, SIAM J. Matrix Anal. Appl..

Structure preserving parallel algorithms for solving the Bethe-Salpeter eigenvalue problem

Chao Yang, S. Louie, Meiyue Shao, 2015, 1501.03830.

Optical spectrum of MoS2: many-body effects and diversity of exciton states.

S. Louie, D. Qiu, Felipe H. da Jornada, 2013, Physical review letters.

Electron-hole excitations and optical spectra from first principles

S. Louie, M. Rohlfing, 2000 .

Large-scale GW calculations on pre-exascale HPC systems

Steven G. Louie, Chao Yang, Karthik Raman, 2018, Comput. Phys. Commun..

Reliability of hybrid functionals in predicting band gaps.

S. Louie, J. Chelikowsky, Manish Jain, 2011, Physical review letters.

Excitation spectra of aromatic molecules within a real-space G W -BSE formalism: Role of self-consistency and vertex corrections

S. Louie, J. Chelikowsky, F. D. Jornada, 2016 .

Simple approximate physical orbitals for GW quasiparticle calculations.

S. Louie, Marvin L. Cohen, J. Deslippe, 2011, Physical review letters.

Coulomb-hole summations and energies for GW calculations with limited number of empty orbitals: a modified static remainder approach

S. Louie, Marvin L. Cohen, J. Deslippe, 2012, 1208.0266.

GW method with the self-consistent Sternheimer equation

S. Louie, Marvin L. Cohen, F. Giustino, 2009, 0912.3087.

TDDFT in massively parallel computer architectures: the OCTOPUS project

Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, 2012 .

Reproducibility in G0W0 calculations for solids

Steven G. Louie, David D. O'Regan, Jack Deslippe, 2019, Computer Physics Communications.

GW100: Benchmarking G0W0 for Molecular Systems.

Chao Yang, S. Louie, F. Liu, 2015, Journal of chemical theory and computation.

Quasiparticle band gap of ZnO: high accuracy from the conventional G⁰W⁰ approach.

S. Louie, Marvin L. Cohen, B. Shih, 2010, Physical review letters.

First-principles DFT plus GW study of oxygen vacancies in rutile TiO2

S. Louie, Manish Jain, A. Malashevich, 2014, 1407.5706.

Static subspace approximation for the evaluation of G0W0 quasiparticle energies within a sum-over-bands approach

S. Louie, A. Canning, T. Rangel, 2019, Physical Review B.

Electron transport and optical properties of carbon nanostructures from first principles

Steven G. Louie, Jeffrey B. Neaton, Catalin D. Spataru, 2005, Computer Physics Communications.

Quasiparticle energies, excitonic effects and optical absorption spectra of small-diameter single-walled carbon nanotubes

S. Louie, C. Spataru, S. Ismail-Beigi, 2004 .

Excitonic effects and optical spectra of single-walled carbon nanotubes.

S. Louie, C. Spataru, S. Ismail-Beigi, 2003, Physical review letters.

Numerical integration for ab initio many-electron self energy calculations within the GW approximation

Fang Liu, Steven G. Louie, Lin Lin, 2014, J. Comput. Phys..

First-principles calculations of quasiparticle excitations of open-shell condensed matter systems.

S. Louie, J. Deslippe, Manish Jain, 2012, Physical review letters.

Electron beam supercollimation in graphene superlattices.

Cheol-Hwan Park, Li Yang, Young-Woo Son, 2008, Nano letters.

Graphene Dirac fermions in one-dimensional inhomogeneous field profiles: Transforming magnetic to electric field

S. Louie, L. Tan, Cheol-Hwan Park, 2009, 0906.4975.

Time-dependent density-functional theory in massively parallel computer architectures: the octopus project

Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles prediction of optical second-order harmonic generation in the endohedralN@C60compound

David A. Strubbe, Steven G. Louie, Thomas F. George, 2011 .

Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids.

Xavier Andrade, David A. Strubbe, Angel Rubio, 2010, The Journal of chemical physics.

Self-consistent pseudopotential method for localized configurations: molecules

Steven G. Louie, James R. Chelikowsky, S. Louie, 1975 .

Structure and energy of the 90 degrees partial dislocation in diamond: a combined Ab initio and elasticity theory analysis.

S. Louie, A. Canning, X. Blase, 2000, Physical review letters.

Ab initio study of hot electrons in GaAs

S. Louie, J. Neaton, Derek Vigil-Fowler, 2015, Proceedings of the National Academy of Sciences.

Experimentally engineering the edge termination of graphene nanoribbons.

S. Louie, H. Dai, A. Zettl, 2012, ACS nano.

Spatially resolving edge states of chiral graphene nanoribbons

S. Louie, H. Dai, J. Tour, 2011, 1101.1141.

Energy gaps in graphene nanoribbons.

S. Louie, Marvin L. Cohen, Y. Son, 2006, Physical Review Letters.

Electronic transport in polycrystalline graphene.

S. Louie, O. Yazyev, 2010, Nature materials.

Relaxation of Crystals with the Quasi-Newton Method

Bernd G. Pfrommer, S. Louie, Marvin L. Cohen, 1997 .

Amine-gold linked single-molecule circuits: experiment and theory.

S. Louie, J. Neaton, H. Choi, 2007, Nano letters.

Mechanically controlled binary conductance switching of a single-molecule junction.

S. Louie, M. Steigerwald, J. Neaton, 2009, Nature nanotechnology.

Length dependence of conductance in aromatic single-molecule junctions.

S. Louie, J. Neaton, H. Choi, 2009, Nano letters.

Structural and electronic properties of n-doped and p-dopedSrTiO3

S. Louie, Marvin L. Cohen, W. Duan, 2004 .

Recent Advances in Two-Dimensional Materials beyond Graphene.

Fengnian Xia, Deji Akinwande, Michael S Strano, 2015, ACS nano.

NMR chemical shifts in amino acids: Effects of environments, electric field, and amine group rotation

Steven G. Louie, Bernd G. Pfrommer, Young-Gui Yoon, 2002 .

NMR chemical shifts in amino acids: effects of environments in the condensed phase

Steven G. Louie, Bernd G. Pfrommer, Young-Gui Yoon, 2004 .

Anharmonicity and Lifetime of the CH Stretch Mode on Diamond H/C(111)-(1 × 1)

S. Louie, X. Blase, Y. Shen, 1995 .

Quasiparticle effects in the bulk and surface-state bands of Bi$_{2}$Se$_{3}$ and Bi$_{2}$Te$_{3}$ topological insulators

Steven G. Louie, Oleg V. Yazyev, Joel E. Moore, 2011, 1108.2088.

Fully collapsed carbon nanotubes

Steven G. Louie, Vincent H. Crespi, A. Zettl, 1995, Nature.

Graphene at the Edge: Stability and Dynamics

Steven G. Louie, Cheol-Hwan Park, C. Kisielowski, 2009, Science.

2022 Using Dynamic Model Decomposition to Predict the Dynamics of a Two-time Non-equilibrium Green’s function

S. Louie, F. D. Jornada, D. Qiu, 2022 .

Automated construction of maximally localized Wannier functions: Optimized projection functions method

Steven G. Louie, Jamal I. Mustafa, S. Louie, 2015, 1508.04148.

Quantum conductance of multiwall carbon nanotubes

S. Louie, Y. Yoon, P. Delaney, 2002 .

Structural deformation and intertube conductance of crossed carbon nanotube junctions.

S. Louie, J. Ihm, Y. Yoon, 2000, Physical review letters.

Boron Nitride Nanotubes

Steven G. Louie, R. J. Luyken, Vincent H. Crespi, 1995, Science.

Momentum-resolved dielectric response of free-standing mono-, bi- and tri- layer black phosphorus.

S. Louie, F. Ducastelle, R. Martel, 2019, Nano letters.

Self-Consistent Pseudopotential Calculations on Si(111) Unreconstructed and (2×1) Reconstructed Surfaces

S. Louie, M. Schlüter, J. Chelikowsky, 1975 .

Self-consistent electronic states for reconstructed Si vacancy models

Steven G. Louie, James R. Chelikowsky, S. Louie, 1976 .

Electronic energy levels of weakly coupled nanostructures: C60-metal interfaces.

S. Louie, Marvin L. Cohen, J. Neaton, 2008, Physical review letters.

Energy gaps and stark effect in boron nitride nanoribbons.

Cheol-Hwan Park, S. Louie, Cheol-Hwan Park, 2008, Nano letters.

Bright excitons with negative-mass electrons

S. Louie, Kenji Watanabe, T. Taniguchi, 2020, 2006.14705.

Probing excitonic dark states in single-layer tungsten disulphide

Steven G. Louie, Yuan Wang, Xiang Zhang, 2014, Nature.

Excitonic effects on the optical response of graphene and bilayer graphene.

Li Yang, Jack Deslippe, Cheol-Hwan Park, 2009, Physical Review Letters.

Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides.

S. Louie, D. Qiu, G. Antonius, 2017, Nano letters.

Magnetic brightening and control of dark excitons in monolayer WSe2.

Ying Wang, Yu-Chuan Lin, Ting Cao, 2016, Nature nanotechnology.

Large Spin-Orbit Splitting of Deep In-Gap Defect States of Engineered Sulfur Vacancies in Monolayer WS_{2}.

D. F. Ogletree, S. Louie, R. Koch, 2018, Physical review letters.

Layer-Dependent Electronic Structure of Atomically Resolved Two-Dimensional Gallium Selenide Telluride.

S. Louie, A. Zettl, G. Antonius, 2019, Nano letters.

First direct observation of Dirac fermions in graphite

Steven G. Louie, A. V. Fedorov, A. Lanzara, 2006, cond-mat/0608069.

Quasiparticle band structure of ZnS and ZnSe

S. Louie, Marvin L. Cohen, S. Ismail-Beigi, 2002 .

The imprint of transition metal d-orbitals on a graphene Dirac cone: A Raman investigation

S. Louie, Marvin L. Cohen, Sinisa Coh, 2014 .

Direct observation of the layer-dependent electronic structure in phosphorene.

Zuocheng Zhang, Takashi Taniguchi, Kenji Watanabe, 2016, Nature nanotechnology.

Pseudo-atomic orbital behavior in graphene nanoribbons with four-membered rings

Daniel J. Rizzo, S. Louie, C. Nuckolls, 2021, Science advances.

Optical Excitations in Conjugated Polymers

Steven G. Louie, Michael Rohlfing, S. Louie, 1999 .

Comparison of GW band structure to semiempirical approach for an FeSe monolayer

S. Louie, Marvin L. Cohen, Sinisa Coh, 2020, Physical Review B.

Magnetic edge-state excitons in zigzag graphene nanoribbons.

S. Louie, Marvin L. Cohen, Li Yang, 2008, Physical review letters.

Physical origin of giant excitonic and magneto-optical responses in two-dimensional ferromagnetic insulators

S. Louie, Zhenglu Li, Ting Cao, 2019, Nature Communications.

Low rank approximation in G0W0 calculations

Chao Yang, S. Louie, Meiyue Shao, 2016, 1605.02141.

High Thermoelectric Powerfactor in 2D Crystals of MoS2

S. Louie, Joel E Moore, D. Qiu, 2017 .

Cancellation effects in localized orbital theories

S. Louie, 1980 .

Fermi surfaces and quantum oscillations in the underdoped high-Tc superconductors YBa2Cu3O6.5 and YBa2Cu4O8

S. Louie, Marvin L. Cohen, H. Choi, 2009, 0912.2450.

Tunable Magnetism and Half-Metallicity in Hole-Doped Monolayer GaSe.

S. Louie, Zhenglu Li, Ting Cao, 2014, Physical review letters.

Surface states on the (001) surface of Nb

S. Louie, J. Chelikowsky, K. Ho, 1976 .

Theory of the electronic and transport properties of graphene under a periodic electric or magnetic field

S. Louie, L. Tan, Cheol-Hwan Park, 2011, 1102.3817.

Transition metals and their carbides and nitrides: Trends in electronic and structural properties

S. Louie, Marvin L. Cohen, J. Grossman, 1999 .

Contact dependence of the conductance ofH2molecular junctions from first principles

S. Louie, J. Neaton, H. Choi, 2008 .

Real-space pseudopotential calculations of spin-dependent electron transport in magnetic molecular junctions

S. Louie, J. Chelikowsky, J. Neaton, 2007 .

Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the GW plus Bethe-Salpeter approach

S. Louie, L. Kronik, J. Neaton, 2019, Physical Review Materials.

Photoelectron spin-flipping and texture manipulation in a topological insulator

S. Louie, C. Jozwiak, R. Birgeneau, 2013, Nature Physics.

Molecular bandgap engineering of bottom-up synthesized graphene nanoribbon heterojunctions.

Ting Cao, S. Louie, F. Fischer, 2015, Nature nanotechnology.

Rationally Designed Topological Quantum Dots in Bottom-Up Graphene Nanoribbons

Daniel J. Rizzo, S. Louie, F. Fischer, 2021, ACS nano.

Topological Phases in Graphene Nanoribbons Tuned by Electric Fields.

S. Louie, Ting Cao, Fangzhou Zhao, 2021, Physical review letters.

Optical imaging and spectroscopy of atomically precise armchair graphene nanoribbons.

S. Louie, K. Müllen, M. Calame, 2020, Nano letters.

Length-Dependent Evolution of Type II Heterojunctions in Bottom-Up-Synthesized Graphene Nanoribbons.

Daniel J. Rizzo, S. Louie, F. Fischer, 2019, Nano letters.

Concentration Dependence of Dopant Electronic Structure in Bottom-up Graphene Nanoribbons.

Daniel J. Rizzo, S. Louie, F. Fischer, 2018, Nano letters.

Hierarchical On-Surface Synthesis of Deterministic Graphene Nanoribbon Heterojunctions

Daniel J. Rizzo, S. Louie, F. Fischer, 2017, 1711.05771.

Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains.

S. Louie, Ting Cao, Fangzhou Zhao, 2017, Physical review letters.

Site-Specific Substitutional Boron Doping of Semiconducting Armchair Graphene Nanoribbons.

Daniel J. Rizzo, S. Louie, F. Fischer, 2015, Journal of the American Chemical Society.

Surface states and metal overlayers on the (110) surface of GaAs

S. Louie, J. Chelikowsky, Marvin L. Cohen, 1976 .

Quasiparticle and Excitonic Effects in the Optical Response of Nanotubes and Nanoribbons

Steven G. Louie, Sohrab Ismail-Beigi, Catalin D. Spataru, 2007 .

Family Behavior of the Pressure and Temperature Dependences of the Band Gap of Semiconducting Carbon Nanotubes

S. Louie, Marvin L. Cohen, R. Capaz, 2005 .

Spectroscopy of zigzag single-walled carbon nanotubes : Comparing femtosecond transient absorption spectra with ab initio calculations

S. Louie, C. Spataru, G. Fleming, 2006 .

Temperature dependence of the optical transition energies of carbon nanotubes: the role of electron-phonon coupling and thermal expansion.

S. Louie, B. Goldberg, Marvin L. Cohen, 2006, Physical review letters.

Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene

S. Louie, T. Rangel, J. Neaton, 2020, Physical Review B.

Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap

S. Louie, X. Gonze, G. Antonius, 2020, npj Computational Materials.

Possible explanation for the conductance of a single quantum unit in metallic carbon nanotubes

S. Louie, J. Ihm, H. Choi, 1999 .

Surface energetics and growth of pentacene

S. Louie, M. L. Tiago, J. Northrup, 2002 .

Observation of spectral evolution during the formation of a Ni2 Kondo molecule

S. Louie, Weimin M. Chen, M. Crommie, 2002 .

Ab initio study of iron and iron hydride: III. Vibrational states of H isotopes in Fe, Cr and Ni

S. Louie, C. Chan, C. Elsasser, 1998 .

Spatially mapping the spectral density of a single C60 molecule.

S. Louie, K. Khoo, M. Crommie, 2003, Physical review letters.

Intervalley Excitonic Hybridization, Optical Selection Rules, and Imperfect Circular Dichroism in Monolayer h-BN.

S. Louie, Z. K. Tang, C. Ong, 2022, Physical review letters.

Tuning colour centres at a twisted hexagonal boron nitride interface

S. Louie, Zikang Tang, Kenji Watanabe, 2022, Nature Materials.

Effective mass in bilayer graphene at low carrier densities: The role of potential disorder and electron-electron interaction

S. Louie, J. Zhu, T. Taniguchi, 2016, 1611.00414.

Insulating titanium oxynitride for visible light photocatalysis

S. Louie, Sinisa Coh, Yuta Aoki, 2017, Physical Review B.

Optimizing GW for Petascale HPC and Beyond

Steven G. Louie, James R. Chelikowsky, Jack Deslippe, 2014 .

Accelerating GW-Based Energy Level Alignment Calculations for Molecule-Metal Interfaces Using a Substrate Screening Approach.

S. Louie, J. Neaton, Felipe H. da Jornada, 2019, Journal of chemical theory and computation.

Unconventional excitonic states with phonon sidebands in layered silicon diphosphide

S. Louie, Hongtao Yuan, H. Gou, 2022, Nature Materials.

Accelerating Large-Scale Excited-State GW Calculations on Leadership HPC Systems

S. Louie, F. D. Jornada, J. Deslippe, 2020, SC20: International Conference for High Performance Computing, Networking, Storage and Analysis.

One-dimensional structural irregularities in graphene: chiral edges and grain boundaries

S. Louie, R. Capaz, O. Yazyev, 2011 .

Molecular Self-Assembly in a Poorly Screened Environment: F4TCNQ on Graphene/BN

S. Louie, T. Taniguchi, Sinisa Coh, 2015, ACS nano.

Molecular Self-Assembly in a Poorly Screened Environment: F4TCNQ on Graphene/BN

S. Louie, Kenji Watanabe, T. Taniguchi, 2015, ACS nano.

Excitonic effects on the optical response of graphene and bilayer graphene.

S. Louie, Cheol-Hwan Park, J. Deslippe, 2009, Physical review letters.

Structure, Bonding, and Geochemistry of Xenon at High Pressures

Bernd G. Pfrommer, R. Jeanloz, S. Louie, 1997 .

Structural and electronic properties of carbon in hybrid diamond-graphite structures

S. Louie, P. Tangney, M. Cohen, 2005 .

Electron-phonon coupling inC60using hybrid functionals

S. Louie, M. Côté, J. L. Janssen, 2010 .

Electron-phonon coupling in C60 using hybrid functionals

S. Louie, M. Côté, J. L. Janssen, 2010 .

Generation of Anisotropic Massless Dirac Fermions and Asymmetric Klein Tunneling in Few-Layer Black Phosphorus Superlattices.

S. Louie, Zhenglu Li, Ting Cao, 2016, Nano letters.

Spontaneous twisting of a collapsed carbon nanotube

S. Louie, Sinisa Coh, A. Zettl, 2017, Nano Research.

Stability and Band Gap Constancy of Boron Nitride Nanotubes

S. Louie, X. Blase, Á. Rubio, 1994 .

First-principles theory of electron-spin fluctuation coupling and superconducting instabilities in iron selenide

S. Louie, A. MacDonald, J. Lischner, 2015, 1501.02200.

Erratum: Quantum conductance of carbon nanotubes with defects [Phys. Rev. B54, 2600 (1996)]

S. Louie, L. Chico, L. Benedict, 2000 .

Temperature dependence of the band gap of semiconducting carbon nanotubes.

S. Louie, R. Capaz, C. Spataru, 2004, Physical review letters.

Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals

S. Louie, Yuang Wang, R. Cava, 2017, Nature.

Energy gaps in graphene nanoribbons.

S. Louie, Y. Son, M. Cohen, 2006, Physical review letters.

Probing excitonic dark states in single-layer tungsten disulphide

S. Louie, Y. Wang, Xiang Zhang, 2014, Nature.

Orbitally Matched Edge-Doping in Graphene Nanoribbons.

S. Louie, J. Ihm, F. Fischer, 2018, Journal of the American Chemical Society.

Selective functionalization of halogens on zigzag graphene nanoribbons: A route to the separation of zigzag graphene nanoribbons

S. Louie, Hoonkyung Lee, M. Cohen, 2010, 1008.2496.

First direct observation of Dirac fermions in graphite

A. V. Fedorov, S. Louie, C. Spataru, 2006, cond-mat/0608069.

Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the GW and related approximations

Timothy C. Berkelbach, S. Louie, D. Matthews, 2015, 1512.04556.

Self-consistent pseudopotential calculation of the electronic structure of PdH and Pd 4 H

S. Louie, C. Chan, 1983 .

Tuning colour centres at a twisted hexagonal boron nitride interface

S. Louie, Zikang Tang, Kenji Watanabe, 2022, Nature Materials.

Excitonic effects in the optical properties of a SiC sheet and nanotubes

S. Louie, G. Guo, H. Hsueh, 2011, 1105.5531.

Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor.

S. Louie, Zhi-Xun Shen, Z. Hussain, 2014, Nature materials.

Intralayer charge-transfer moiré excitons in van der Waals superlattices

Mit H. Naik, S. Louie, Y. Yoon, 2022, Nature.

Magnetic Interactions in Substitutional Core-Doped Graphene Nanoribbons.

S. Louie, F. Fischer, M. Crommie, 2022, Journal of the American Chemical Society.

Bottom-up Assembly of Nanoporous Graphene with Emergent Electronic States.

Daniel J. Rizzo, S. Louie, F. Fischer, 2020, Journal of the American Chemical Society.

Covalent C-N Bond Formation Through a Surface Catalyzed Thermal Cyclodehydrogenation.

S. Louie, Á. Rubio, F. Fischer, 2020, Journal of the American Chemical Society.

Strong correlations and in single-layer

S. Louie, M. Crommie, C. Jia, 2019 .

Strong Correlations and Orbital Texture in Single-Layer 1 T-TaSe 2 1 2

S. Louie, M. Crommie, C. Jia, 2019 .

Hyperspectral imaging of exciton confinement within a moiré unit cell with a subnanometer electron probe

Mit H. Naik, S. Louie, Libai Huang, 2022, Science.

Observing Atomic Collapse Resonances in Artificial Nuclei on Graphene

S. Louie, W. Regan, A. Zettl, 2013, Science.

Effect of semicore orbitals on the electronic band gaps of Si, Ge, and GaAs within the GW approximation

S. Louie, M. L. Tiago, S. Ismail-Beigi, 2003, cond-mat/0307181.

Relaxation effects on the (110) surface of GaAs

S. Louie, J. Chelikowsky, M. Cohen, 1976 .

Electronic structure of a metal-semiconductor interface

S. Louie, M. Cohen, 1976 .

Erratum: Energy Gaps in Graphene Nanoribbons [Phys. Rev. Lett. 97 , 216803 (2006)]

S. Louie, Y. Son, M. Cohen, 2007 .

Generation of Anisotropic Massless Dirac Fermions and Asymmetric Klein Tunneling in Few-Layer Black Phosphorus Superlattices.

S. Louie, Zhenglu Li, Ting Cao, 2016, Nano letters.

Low Rank Approximation in G 0 W 0 Calculations

S. Louie, Meiyue Shao, J. Deslippe, 2016 .

Selection rules for one- and two-photon absorption by excitons in carbon nanotubes

S. Louie, M. Dresselhaus, R. Capaz, 2006, cond-mat/0606777.

Diameter and chirality dependence of exciton properties in carbon nanotubes

S. Louie, R. Capaz, C. Spataru, 2006, cond-mat/0606474.

Excitonic effects and optical spectra of single-walled carbon nanotubes.

S. Louie, C. Spataru, S. Ismail-Beigi, 2003, Physical review letters.

Exciton-driven renormalization of quasiparticle band structure in monolayer MoS2

S. Louie, C. Shih, Woojoo Lee, 2022, Physical Review B.

Exciton-Driven Renormalization of Quasiparticle Band Structure in Monolayer MoS2

S. Louie, C. Shih, Woojoo Lee, 2022, 2205.05821.

Exciton-Driven Ultrafast Enhancement of Quasiparticle Bandgap and Effective Mass in Monolayer MoS2

S. Louie, C. Shih, Woojoo Lee, 2022, 2022 Conference on Lasers and Electro-Optics (CLEO).

Electric field effects on spin transport in defective metallic carbon nanotubes.

S. Louie, Y. Son, M. Cohen, 2007, Nano letters.

Anomalous Anderson localization behaviors in disordered pseudospin systems

S. Louie, C. T. Chan, Zhao-qing Zhang, 2016, Proceedings of the National Academy of Sciences.

Aromaticity and hydrogenation patterns in highly strained fullerenes

S. Louie, J. Grossman, M. Colvin, 2002 .

Tight-Binding Formalism for Ionic Fullerides and its Application to Alkali-C 60 Polymers

S. Louie, S. Saito, M. Cohen, 1997 .

Quasiparticle excitations and charge transition levels of oxygen vacancies in hafnia.

S. Louie, J. Chelikowsky, Manish Jain, 2011, Physical review letters.

Nonanalyticity, Valley Quantum Phases, and Lightlike Exciton Dispersion in Monolayer Transition Metal Dichalcogenides: Theory and First-Principles Calculations.

S. Louie, D. Qiu, Ting Cao, 2015, Physical review letters.

Renormalization of molecular electronic levels at metal-molecule interfaces.

S. Louie, J. Neaton, M. Hybertsen, 2006, Physical review letters.

Spatially resolved electronic and vibronic properties of single diamondoid molecules.

S. Louie, M. Crommie, E. Kioupakis, 2007, Nature materials.

interactions in quasi-freestanding graphene

S. Louie, Cheol-Hwan Park, J. Deslippe, 2011 .

Disorder, Pseudospins, and Backscattering in Carbon Nanotubes

S. Louie, P. McEuen, D. Cobden, 1999, cond-mat/9906055.

Large electron–phonon interactions from FeSe phonons in a monolayer

S. Louie, Sinisa Coh, M. Cohen, 2014, 1407.5657.

Formation and electronic properties of double-walled boron nitride nanotubes

S. Louie, D. Roundy, S. Jhi, 2005 .

Theoretical investigation of graphitic carbon nitride and possible tubule forms

S. Louie, Y. Miyamoto, M. Cohen, 1997 .

Excited-state forces within a first-principles Green's function formalism.

S. Louie, S. Ismail-Beigi, S. Ismail‐Beigi, 2002, Physical review letters.

Polaron spectral properties in doped ZnO and SrTiO3 from first principles

S. Louie, G. Antonius, Y. Chan, 2020 .

A tunable phonon-exciton Fano system in bilayer graphene.

S. Louie, T. Tang, Cheol-Hwan Park, 2009, Nature nanotechnology.

Determination of photoswitching dynamics through chiral mapping of single molecules using a scanning tunneling microscope.

David A. Strubbe, S. Louie, J. Fréchet, 2010, Physical review letters.

Some Comments on the Excitonic Mechanism of Superconductivity

S. Louie, M. Cohen, 1976 .

Electronic structure of radially deformed BN and BC 3 nanotubes

S. Louie, K. Chang, Yong‐Hyun Kim, 2001 .

Mechanically controlled binary conductance switching of a single-molecule junction.

S. Louie, M. Steigerwald, J. Neaton, 2009, Nature nanotechnology.

Anomalous quasiparticle lifetime in graphite: band structure effects.

S. Louie, C. Spataru, Á. Rubio, 2001, Physical review letters.

Two-gap superconductivity and decisive role of rare-earth $d$ electrons in infinite-layer nickelates

S. Louie, Zhenglu Li, 2022, 2210.12819.

Electron-hole interaction in carbon nanotubes: novel screening and exciton excitation spectra.

S. Louie, M. Moutinho, R. Capaz, 2009, Nano letters.

Evidence for a spinon Kondo effect in cobalt atoms on single-layer 1T-TaSe2

S. Louie, Zhi-Xun Shen, M. Crommie, 2022, Nature Physics.

The first-order Raman mode of diamond under pressure

S. Louie, S. Fahy, K. Syassen, 1986 .

Evidence for quantum spin liquid behaviour in single-layer 1T-TaSe2 from scanning tunnelling microscopy

S. Louie, Zhi-Xun Shen, M. Crommie, 2021, Nature Physics.

Imaging spinon density modulations in a 2D quantum spin liquid

S. Louie, Zhi-Xun Shen, M. Crommie, 2020, 2009.07379.

Hierarchical On-Surface Synthesis of Deterministic Graphene Nanoribbon Heterojunctions

Daniel J. Rizzo, S. Louie, F. Fischer, 2017, 1711.05771.

Self-trapped excitons in silicon dioxide: mechanism and properties.

S. Louie, S. Ismail-Beigi, S. Ismail‐Beigi, 2005, Physical review letters.

Theory of Sodium Ordering in Na$_x$CoO$_2$

S. Louie, R. Capaz, Peihong Zhang, 2005, cond-mat/0502072.

Low Energy Properties of (n,n) Carbon Nanotubes

S. Louie, D.-H. Lee, Y. Krotov, 1997 .

Lawrence Berkeley National Laboratory Recent Work Title Large Spin-Orbit Splitting of Deep In-Gap Defect States of Engineered Sulfur Vacancies in Monolayer

D. F. Ogletree, S. Louie, R. Koch, 2018 .

Topology Classification using Chiral Symmetry and Spin Correlations in Graphene Nanoribbons.

S. Louie, Jingwei Jiang, 2020, Nano letters.

Gate Switchable Transport and Optical Anisotropy in 90° Twisted Bilayer Black Phosphorus.

S. Louie, D. Qiu, Zhenglu Li, 2016, Nano letters.

Theory and ab initio calculation of radiative lifetime of excitons in semiconducting carbon nanotubes.

S. Louie, R. Capaz, C. Spataru, 2005, Physical review letters.

Low-lying excited states in crystalline perylene

S. Louie, L. Kronik, T. Rangel, 2017, Proceedings of the National Academy of Sciences.

THEORY OF SEMICONDUCTOR SURFACE STATES AND METAL-SEMICONDUCTOR INTERFACES.

S. Louie, J. Chelikowsky, M. Cohen, 1976 .

Coupling of nonlocal potentials to electromagnetic fields.

S. Louie, S. Ismail-Beigi, E. Chang, 2001, Physical review letters.

Dynamical screening at the metal - semiconductor interface and excitonic superconductivity

D. R. Penn, S. Louie, M. Cohen, 1997 .

Low rank approximation in G0W0 calculations

S. Louie, Meiyue Shao, J. Deslippe, 2016, Science China Mathematics.

Imprint of transition metal d orbitals on a graphene Dirac cone

S. Louie, Sinisa Coh, A. Zettl, 2013, 1307.0042.

Hyperspectral imaging of exciton confinement within a moiré unit cell with a subnanometer electron probe

Mit H. Naik, S. Louie, Libai Huang, 2022, Science.

Accelerating Optical Absorption Spectra and Exciton Energy Computation for Nanosystems via Interpolative Separable Density Fitting

Chao Yang, S. Louie, Lin Lin, 2018, 1801.09015.

Lawrence Berkeley National Laboratory Recent Work Title Accelerating Optical Absorption Spectra and Exciton Energy Computation via Interpolative Separable Density Fitting Permalink

Chao Yang, S. Louie, Lin Lin, 2018 .

Scanning Tunneling Spectroscopy of C36

S. Louie, P. Collins, J. Grossman, 1999 .

Atomically perfect torn graphene edges and their reversible reconstruction

S. Louie, Sinisa Coh, A. Zettl, 2013, Nature Communications.

Ab Initio Electronic Relaxation Times and Transport in Noble Metals

S. Louie, J. Mustafa, J. Neaton, 2016 .

Electron dynamics in crystals

S. Louie, M. Cohen, 2016 .

First-Principles Calculation of the Superconducting Transition in MgB2 within the Anisotropic Eliashberg Formalism

S. Louie, H. Choi, D. Roundy, 2001, cond-mat/0111182.

Photoisomerization of azobenzene from first-principles constrained density-functional calculations.

S. Louie, M. L. Tiago, S. Ismail-Beigi, 2005, The Journal of chemical physics.

Computational design of direct-bandgap semiconductors that lattice-match silicon

Steven G. Louie, Peihong Zhang, Vincent H. Crespi, 2001, Nature.

Ab initio study of iron and iron hydride: II. Structural and magnetic properties of close-packed Fe and FeH

S. Louie, C. Chan, B. Meyer, 1998 .

Electronic structure of subsurface and surface chemisorption for hydrogen on the Pd(111) surface

S. Louie, C. Chan, 1983 .

Interaction of hydrogen with a Pd(111) surface

S. Louie, W. Eberhardt, E. Plummer, 1983 .

Research opportunities on clusters and cluster-assembled materials—A Department of Energy, Council on Materials Science Panel Report

Richard W. Siegel, William A. Goddard, Robert S Averback, 1989 .

Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals

Xiang Zhang, Steven G. Louie, Wei Bao, 2017, Nature.

Ab initio study of iron and iron hydride: I. Cohesion, magnetism and electronic structure of cubic Fe and FeH

S. Louie, C. Chan, C. Elsässer, 1998 .

Self-consistent mixed-basis approach to the electronic structure of solids

Steven G. Louie, Kai-Ming Ho, S. Louie, 1979 .

Hydrogen on Pd(111): Self-Consistent Electronic Structure, Chemical Bonding, and Photoemission Spectra

S. Louie, 1979 .

New model dielectric function and exchange-correlation potential for semiconductors and insulators

S. Louie, Z. Levine, 1982 .

First-principles scattering-state approach for nonlinear electrical transport in nanostructures

S. Louie, H. Choi, M. Cohen, 2004 .

Negative differential resistance in transport through organic molecules on silicon.

Efthimios Kaxiras, S. Louie, E. Kaxiras, 2007, Physical review letters.

Reversible photomechanical switching of individual engineered molecules at a metallic surface.

David A. Strubbe, Dirk Trauner, Matthew J Comstock, 2006, Physical review letters.

Nonlinear ionic pseudopotentials in spin-density-functional calculations

Steven G. Louie, S. Louie, Marvin L. Cohen, 1982 .

Inducing metallicity in graphene nanoribbons via zero-mode superlattices

Daniel J. Rizzo, S. Louie, F. Fischer, 2019, Science.

Heat capacity of carbon nanotubes

S. Louie, L. Benedict, M. Cohen, 1996 .

σ-states contribution to the conductivity of BC3

S. Louie, D. Tománek, R. Wentzcovitch, 1988 .

Mechanism for bias-assisted indium mass transport on carbon nanotube surfaces

S. Louie, J. Neaton, M. Cohen, 2005 .

Periodic Oscillations of the Frequency-Dependent Photoelectric Cross Sections of Surface States: Theory and Experiment

S. Louie, J. Lecante, P. Thiry, 1980 .

Electronic mechanism of hardness enhancement in transition-metal carbonitrides

S. Louie, J. Ihm, S. Jhi, 1998, Nature.

Ultrasensitive tunability of the direct bandgap of 2D InSe flakes via strain engineering

S. Louie, Y. Li, Cheng‐Yan Xu, 2018, 1801.07538.

Lithium-intercalated graphite: Self-consistent electronic structure for stages one, two, and three

Steven G. Louie, N. A. W. Holzwarth, S. Louie, 1983 .

Theory of exciton-phonon coupling

S. Louie, G. Antonius, 2017, Physical Review B.

Enhanced electron-phonon coupling near the lattice instability of superconducting NbC1−xNxfrom density-functional calculations

S. Louie, S. Blackburn, M. Côté, 2011 .

The electronic structure of $\beta$-HgS via $GW$ calculations

S. Louie, Bradford A. Barker, 2022, 2203.15831.

The electronic structure of β -HgS via GW calculations

S. Louie, Bradford A. Barker, Steven G. Louie, 2022 .

Coexistence of sharp quasiparticle dispersions and disorder features in graphite

S. Louie, C. Spataru, A. Lanzara, 2005, cond-mat/0506238.

Quasiparticle energy bands of NiO in the GW approximation

Steven G. Louie, Gian-Marco Rignanese, S. Louie, 2005 .

First-principles linear combination of atomic orbitals method for the cohesive and structural properties of solids: Application to diamond

Steven G. Louie, James R. Chelikowsky, S. Louie, 1984 .

Vacancy hardening and softening in transition metal carbides and nitrides.

M. L. Cohen, S. Louie, J. Ihm, 2001, Physical review letters.

Tuning the electronic properties of boron nitride nanotubes with transverse electric fields: A giant dc Stark effect

Steven G. Louie, S. Louie, K. Khoo, 2004 .

Anisotropic Eliashberg theory of MgB2: Tc, isotope effects, superconducting energy gaps, quasiparticles, and specific heat

S. Louie, H. Choi, M. Cohen, 2003 .

Physical origin of giant excitonic and magneto-optical responses in two-dimensional ferromagnetic insulators

S. Louie, Zhenglu Li, Ting Cao, 2019, Nature Communications.

Gate-Controlled Ionization and Screening of Cobalt Adatoms on a Graphene Surface

S. Louie, A. Zettl, M. Crommie, 2010, 1006.1014.

Accurate determination of the valence band edge in hard x-ray photoemission spectra using GW theory

S. Louie, A. Gloskovskii, J. Lischner, 2016, 1604.05110.

Phonon-assisted optical absorption in silicon from first principles.

S. Louie, J. Noffsinger, E. Kioupakis, 2012, Physical review letters.

Quantum theory of real materials

Steven G. Louie, James R. Chelikowsky, S. Louie, 1996 .

Spin polarization and transport of surface states in the topological insulators Bi2Se3 and Bi2Te3 from first principles.

S. Louie, Joel E Moore, O. Yazyev, 2010, Physical review letters.

Half-metallic graphene nanoribbons

S. Louie, Y. Son, M. Cohen, 2006, Nature.

Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals

S. Louie, J. Neaton, W. Peng, 2018, Nature Communications.

Energetics and structural characterization of C 60 polymerization in BN and carbon nanopeapods

S. Louie, A. Trave, M. Cohen, 2004 .

Conductance and geometry of pyridine-linked single-molecule junctions.

S. Louie, M. Steigerwald, C. Nuckolls, 2010, Journal of the American Chemical Society.

Spin splitting of dopant edge state in magnetic zigzag graphene nanoribbons

S. Louie, F. Fischer, Junmian Zhu, 2021, Nature.

Structural forms of cubic BC2N

S. Louie, D. Roundy, S. Jhi, 2001 .

Charge transfer and screening in individual C 60 molecules on metal substrates: A scanning tunneling spectroscopy and theoretical study

Steven G. Louie, Michael F. Crommie, S. Louie, 2004 .

Tuning charge and correlation effects for a single molecule on a graphene device

S. Louie, A. Neto, Kenji Watanabe, 2016, Nature Communications.

ELECTRONIC STRUCTURE OF CESIUM UNDER PRESSURE

S. Louie, M. Cohen, 1974 .

Quasiparticle energies and optical excitations of 3C-SiC divacancy from GW and GW<

S. Louie, J. Chelikowsky, J. Deslippe, 2022, Physical Review Materials.

Raman spectroscopy study of rotated double-layer graphene: misorientation-angle dependence of electronic structure.

S. Louie, W. Regan, L. Tan, 2012, Physical review letters.

Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor.

Daniel J. Rizzo, S. Louie, J. Chelikowsky, 2017, Nature nanotechnology.

Emergent superconductivity and non-Fermi liquid transport in a doped valence bond solid insulator

S. Louie, Dung-Hai Lee, Zi-Xiang Li, 2023, Physical Review B.

Anisotropic behaviours of massless Dirac fermions in graphene under periodic potentials

Steven G. Louie, Li Yang, Cheol-Hwan Park, 2008, 0803.0306.

Spin polarization of photoelectrons from topological insulators.

S. Louie, Cheol-Hwan Park, 2012, Physical review letters.

Spin polarization and transport of surface states in the topological insulators Bi$_2$Se$_3$ and Bi$_2$Te$_3$ from first principles

Steven G. Louie, Oleg V. Yazyev, Joel E. Moore, 2011 .

Tunable excitons in bilayer graphene

S. Louie, P. McEuen, Kenji Watanabe, 2017, Science.

Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides

S. Louie, S. Barja, J. Neaton, 2018, Nature Communications.

Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe2 Nanostructures

S. Louie, Z. Hussain, D. Qiu, 2015, Nano letters.

Spinor GW /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

David A. Strubbe, India., Berkeley, 2022, Physical Review B.

Direct observation of Klein tunneling in phononic crystals

S. Louie, Yuang Wang, Sui Yang, 2020, Science.

Making massless Dirac fermions from a patterned two-dimensional electron gas.

S. Louie, Cheol-Hwan Park, 2008, Nano letters.

Topological band engineering of graphene nanoribbons

Daniel J. Rizzo, S. Louie, F. Fischer, 2018, Nature.

Lattice fluctuation induced pseudogap in quasi-one-dimensional Ta2NiSe5

S. Louie, A. Bostwick, E. Rotenberg, 2021 .

Superconducting energy gaps, low temperature specific heat, and quasiparticle spectra of MgB2

S. Louie, H. Choi, D. Roundy, 2001, cond-mat/0111183.

N ov 2 00 1 Superconducting energy gaps , low temperature specific heat , and quasiparticle spectra of MgB 2

S. Louie, H. Choi, D. Roundy, 2001 .

Reply to ``Comment on `First-principles calculation of the superconducting transition in MgB 2 within the anisotropic Eliashberg formalism' ''

S. Louie, H. Choi, D. Roundy, 2003, cond-mat/0307012.

Direct measurement of quantum phases in graphene via photoemission spectroscopy

S. Louie, Cheol-Hwan Park, D. Siegel, 2011, 1109.3680.

Controlling inelastic light scattering quantum pathways in graphene

Steven G. Louie, Feng Wang, Rachel A. Segalman, 2011, Nature.

Strong correlations and orbital texture in single-layer 1T-TaSe2

S. Louie, M. Crommie, C. Jia, 2020 .

Ionicity and the theory of Schottky barriers

Steven G. Louie, James R. Chelikowsky, S. Louie, 1977 .

Self-consistent pseudopotential calculation of the electronic structure of Nb

S. Louie, J. Chelikowsky, K. Ho, 1977 .

Tuning two-dimensional band structure of Cu(111) surface-state electrons that interplay with artificial supramolecular architectures

S. Louie, L. Tan, Weihua Wang, 2013 .

Self-Consistent Pseudopotential Calculation for a Metal-Semiconductor Interface

S. Louie, M. Cohen, 1975 .

Image potential states on periodically corrugated metal surfaces

S. Louie, Hong-xiang Sun, Kin-wah Yu, 2001 .

Total energy minimization for diamond (111) surfaces: Support for an undimerized π -bonded chain reconstruction

D. Vanderbilt, S. Louie, 1984 .

Electronic States and Adsorbate-Induced Photoemission Structure on the Pd(111) Surface

S. Louie, 1978 .

Self-consistent pseudopotential calculations for the ideal (001) surface of Nb

S. Louie, J. Chelikowsky, K. Ho, 1977 .

Self-consistent pseudopotential calculations for Si (111) surfaces: Unreconstructed (1×1) and reconstructed (2×1) model structures

S. Louie, M. Schlüter, J. Chelikowsky, 1975 .

Chapter 2 Predicting Materials and Properties: Theory of the Ground and Excited State

S. Louie, S. G. Louie, 2006 .

Optical Reflectivity of the Si(111)‐(2×1) Surface — The Role of the Electron–Hole Interaction

S. Louie, M. Rohlfing, 1999 .

Quasiparticle theory of surface electronic excitation energies

S. Louie, 1994 .

Chapter 3 Quasiparticle Excitations and Photoemission

S. Louie, 1992 .

Theory of electronic excitations on semiconductor surfaces

S. Louie, 1992 .

Electronic structure and its dependence on local order for H/Si(111)-(1×1) surfaces

S. Louie, Y. Chabal, X. Blase, 1993 .

Self-consistent pseudopotential calculation for the (111) surface of aluminum

S. Louie, M. Schlüter, J. Chelikowsky, 1975 .

First principles studies of S/Mo(001) surfaces

S. Louie, X. W. Wang, 1990 .

Optical and magneto-optical properties of ferromagnetic monolayer CrBr3 : A first-principles GW and GW plus Bethe-Salpeter equation study

S. Louie, Zhenglu Li, Meng Wu, 2021, Physical Review Materials.

Discovering and understanding materials through computation

S. Louie, D. Qiu, Felipe H. da Jornada, 2021, Nature Materials.

Rational Passivation of Sulfur Vacancy Defects in Two-Dimensional Transition Metal Dichalcogenides

S. Louie, J. Neaton, D. Qiu, 2021, ACS nano.

Unmasking the Origin of Kinks in the Photoemission Spectra of Cuprate Superconductors.

S. Louie, Zhenglu Li, Meng Wu, 2021, Physical review letters.

Reproducibility in G0W0 calculations for solids

S. Louie, G. Rignanese, A. Canning, 2019, Comput. Phys. Commun..

Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the GW Method: Correlation-Enhanced Interactions and Superconductivity in Ba_{1-x}K_{x}BiO_{3}.

S. Louie, Felipe H. da Jornada, G. Antonius, 2019, Physical review letters.

Defect-Induced Modification of Low-Lying Excitons and Valley Selectivity in Monolayer Transition Metal Dichalcogenides.

S. Louie, J. Neaton, D. Qiu, 2018, Physical review letters.

Optimizing Excited-State Electronic-Structure Codes for Intel Knights Landing: A Case Study on the BerkeleyGW Software

Steven G. Louie, Jack Deslippe, Nathan Wichmann, 2016, ISC Workshops.

Imaging and Tuning Molecular Levels at the Surface of a Gated Graphene Device

S. Louie, Kenji Watanabe, T. Taniguchi, 2014, ACS nano.

Local Electronic and Chemical Structure of Oligo-acetylene Derivatives Formed Through Radical Cyclizations at a Surface

S. Louie, L. Tan, F. Fischer, 2014, Nano letters.

Electronic and Optical Properties of Silicon Carbide Nanostructures

S. Louie, G. Guo, H. Hsueh, 2013 .

Ab Initio Theories of the Structural, Electronic, and Optical Properties of Semiconductors: Bulk Crystals to Nanostructures

S. Louie, J. Deslippe, 2011 .

First‐principles studies of the electronic structure of cyclopentene on Si(001): density functional theory and GW calculations

S. Louie, E. Kaxiras, J. Neaton, 2006 .

Excitons and many-electron effects in the optical response of single-walled boron nitride nanotubes.

S. Louie, C. Spataru, Cheol-Hwan Park, 2005, Physical review letters.

Quasiparticle and Optical Properties of Solids and Nanostructures: The GW-BSE Approach

S. Louie, Á. Rubio, 2005 .

Ab initio study of optical absorption spectra of semiconductors and conjugated polymers

S. Louie, M. L. Tiago, M. Rohlfing, 2000 .

First-principles calculation of optical absorption spectra in conjugated polymers: Role of electron-hole interaction

S. Louie, M. L. Tiago, M. Rohlfing, 2000 .

Quasiparticle And Optical Excitations In Solids and Clusters

S. Louie, M. Rohlfing, 1999 .

Theoretical Study of the Structure and Electronic Properties of Carbon and B X C Y N Z Nanotubes

S. Louie, 1996 .

Quasiparticle Theory of Electron Excitations in Solids

S. Louie, 1995 .

Photoemission and optical properties of C{sub 60} fullerites

S. Louie, E. Shirley, E. L. Shirley, 1994 .

Electron excitation energies in fullerites: Many-electron and molecular orientational effects

S. Louie, E. Shirley, E. L. Shirley, 1993 .

Predicting High- Pressure and Excited-State Properties of Real Materials

Steven G. Louie, Marvin L. Cohen, X. W. Wang, 1991, Int. J. High Perform. Comput. Appl..

Theory of Electronic Excitations in Solids

S. Louie, 1991 .

Theory of the Quasiparticle Effective Masses in Semiconductors based on an Electron Self Energy Approach

S. Louie, M. Hybertsen, Xuejun Zhu, 1990 .

Self-Energy Approach to Quasiparticle Energies Using a Density Functional Treatment of Dielectric Screening

S. Louie, M. Hybertsen, 1990 .

FIRST-PRINCIPLES CALCULATIONS OF QUASIPARTICLE ENERGIES AT SURFACES AND INTERFACES: SEMICONDUCTOR SURFACE-STATE SPECTRA AND BAND OFFSETS

S. Louie, 1988 .

Theory of quasiparticle energies: Band gaps and excitation spectra in solids

S. Louie, M. Hybertsen, 1987 .

Theory of quasiparticle energies and excitation spectra of semiconductors and insulators

S. Louie, 1987 .

Excitonic effects in the optical spectra of graphene nanoribbons.

S. Louie, Li Yang, M. Cohen, 2007, Nano letters.

Observation of excitons in one-dimensional metallic single-walled carbon nanotubes.

S. Louie, P. Schuck, J. Deslippe, 2007, Physical review letters.

{ital Ab initio} NMR Chemical Shift of Diamond, Chemical-Vapor-Deposited Diamond, and Amorphous Carbon

Bernd G. Pfrommer, S. Louie, F. Mauri, 1997 .

Nonuniversal critical behavior in disordered pseudospin-1 systems

Z. Q. Zhang, S. Louie, A. Fang, 2017, Physical Review B.

X-ray form factors and the electronic structure of graphite

S. Louie, N. Holzwarth, S. Rabii, 1982 .

ab initio study of hot carriers in the first picosecond after sunlight absorption in silicon.

S. Louie, J. Neaton, J. Lischner, 2014, Physical review letters.

Fundamentals of Condensed Matter Physics

S. Louie, M. Cohen, 2016 .

Anomalous Anderson localization behaviors in disordered pseudospin systems

Z. Q. Zhang, S. Louie, C. T. Chan, 2017, Proceedings of the National Academy of Sciences.

Ab initio CALCULATIONS OF MATERIALS PROPERTIES

S. Louie, 1984 .

Ge-GaAs (110) Interface: A Self-Consistent Calculation of Interface States and Electronic Structure

S. Louie, W. Pickett, M. Cohen, 1977 .

A molecular shift register made using tunable charge patterns in one-dimensional molecular arrays on graphene

S. Louie, T. Taniguchi, A. Zettl, 2020, Nature Electronics.

Large enhancement of boron solubility in silicon due to biaxial stress

S. Louie, T. Lenosky, M. Giles, 2002 .

Topological defects in graphene: Dislocations and grain boundaries

Steven G. Louie, Oleg V. Yazyev, S. Louie, 2010, 1004.2031.

Ab initio calculation of the electronic and optical properties of solid pentacene

Steven G. Louie, Murilo L. Tiago, S. Louie, 2003 .

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures

David A. Strubbe, Steven G. Louie, Manish Jain, 2011, Comput. Phys. Commun..

Half-metallic graphene nanoribbons

S. Louie, Y. Son, M. Cohen, 2007, Nature.

Visualization of the Molecular Jahn-Teller Effect in an Insulating K4C60 Monolayer

Steven G. Louie, A. Wachowiak, S. Louie, 2005, Science.

Thermodynamic anomaly above the superconducting critical temperature in the quasi-one-dimensional superconductor Ta4Pd3Te16

S. Louie, L. Balicas, J. E. Moore, 2016, 1610.07226.

Response Functions in TDDFT: Concepts and Implementation

David A. Strubbe, S. Louie, Á. Rubio, 2012 .

1 Response functions in TDDFT : concepts and implementation

David A. Strubbe, S. Louie, Á. Rubio, 2011 .

Self-inductance of chiral conducting nanotubes

Steven G. Louie, Angel Rubio, Yoshiyuki Miyamoto, 1999 .

GW100: Benchmarking G0W0 for Molecular Systems.

Evers, Chao Yang, S. Louie, 2015, Journal of chemical theory and computation.

Doping effects on the electronic and structural properties of CoO2: An LSDA+U study

S. Louie, V. Crespi, Peihong Zhang, 2004, cond-mat/0403704.

Electronic structure of di-tetramethyltetraselenafulvalene-X [(TMTSF) 2 X]: An extended Hückel calculation

S. Louie, C. Minot, 1982 .

Physical origin of satellites in photoemission of doped graphene: an ab initio GW plus cumulant study.

S. Louie, J. Lischner, Derek Vigil-Fowler, 2013, Physical review letters.

Many-body interactions in quasi-freestanding graphene

S. Louie, Cheol-Hwan Park, J. Deslippe, 2011, Proceedings of the National Academy of Sciences.

New Dirac fermions in periodically modulated bilayer graphene.

S. Louie, L. Tan, Cheol-Hwan Park, 2011, Nano letters.

Mechanically-Controlled Reversible Binary Conductance Switching of a Single-Molecule Junction

S. Louie, M. Steigerwald, J. Neaton, 2009 .

Electron-Hole Excitations in Semiconductors and Insulators

Steven G. Louie, Michael Rohlfing, S. Louie, 1998 .

Experimentally Controlling the Edge Termination of Graphene Nanoribbons

S. Louie, H. Dai, A. Zettl, 2012 .

Three-dimensional spirals of atomic layered MoS2.

S. Louie, Jonghwan Kim, P. Yang, 2014, Nano letters.

An atlas of carbon nanotube optical transitions.

S. Louie, X. Bai, E. Wang, 2012, Nature nanotechnology.

Excitons in carbon nanotubes: Diameter and chirality trends

S. Louie, R. Capaz, C. Spataru, 2007 .

Hierarchical On-Surface Synthesis of Graphene Nanoribbon Heterojunctions.

Daniel J. Rizzo, S. Louie, F. Fischer, 2018, ACS nano.

Quantum conductance of carbon nanotube peapods

S. Louie, Y. Yoon, M. Mazzoni, 2003 .

Electronic Properties, Junctions, and Defects of Carbon Nanotubes

S. Louie, 2001 .

Electronic Structure and Quantum Conductance of Carbon Nanotubes

S. Louie, Y. Yoon, 2001 .

Random access of nanodevices

S. Louie, A. Zettl, M. Cohen, 2000 .

Electronic Structure of Carbon and Boron-Carbon-Nitrogen Nanotubes

S. Louie, 2000 .

Engineering Robust Metallic Zero-Mode States in Olympicene Graphene Nanoribbons

S. Louie, F. Fischer, Junmian Zhu, 2023, Journal of the American Chemical Society.

Topology Classification from Chiral Symmetry: Chiral Phase Index and Spin Correlations in Graphene Nanoribbons

S. Louie, Jingwei Jiang, 2020, 2002.04628.

Bottom-Up Synthesis of N = 13 Sulfur-Doped Graphene

Daniel J. Rizzo, S. Louie, F. Toma, 2018 .

Graphene nanoribbons for transistor applications

S. Louie, Ting Cao, Fangzhou Zhao, 2017, 2017 Fifth Berkeley Symposium on Energy Efficient Electronic Systems & Steep Transistors Workshop (E3S).

Bottom-Up Synthesis of N = 13 Sulfur-Doped Graphene Nanoribbons

Daniel J. Rizzo, S. Louie, F. Toma, 2016 .

S. Louie, 1993 .

Theory of magnetic edge states in chiral graphene nanoribbons

S. Louie, R. Capaz, O. Yazyev, 2011, 1102.4886.

Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals

Steven G. Louie, Jeffrey B. Neaton, Marco Bernardi, 2015, Nature Communications.

Superconducting transition temperatures for weak and strong electron-phonon coupling

S. Louie, M. Cohen, 1977 .

Imaging local discharge cascades for correlated electrons in WS2/WSe2 moiré superlattices

Mit H. Naik, S. Louie, Kenji Watanabe, 2021, Nature Physics.

Local-Field Effects in the Optical Spectrum of Silicon

S. Louie, J. Chelikowsky, M. Cohen, 1975 .

Electrical switching in metallic carbon nanotubes.

Young-Woo Son, S. Louie, J. Ihm, 2005, Physical review letters.

A first principles LCAO study of ideal and reconstructed diamond(111) 1×1 and 2×1 surfaces

D. Vanderbilt, S. Louie, 1983 .

Electron-phonon renormalization of the direct band gap of diamond.

S. Louie, F. Giustino, M. Cohen, 2010, Physical review letters.

Pseudospin-1 Physics of Photonic Crystals

Z. Q. Zhang, S. Louie, C. T. Chan, 2019, Research.

Klein tunneling and supercollimation of pseudospin-1 electromagnetic waves

Z. Q. Zhang, S. Louie, C. T. Chan, 2015, 1502.01127.

Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals

S. Louie, Á. Rubio, Felipe H. da Jornada, 2020, Nature Communications.

NMR Chemical Shifts in Hard Carbon Nitride Compounds

Bernd G. Pfrommer, S. Louie, F. Mauri, 1998 .

Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black Phosphorus.

S. Louie, D. Qiu, Felipe H. da Jornada, 2017, Nano letters.

Screening and many-body effects in two-dimensional crystals: Monolayer MoS 2

S. Louie, D. Qiu, F. Jornada, 2016, 1605.08733.

Using dynamic mode decomposition to predict the dynamics of a two-time non-equilibrium Green's function

S. Louie, D. Qiu, Jia Yin, 2022, J. Comput. Sci..

Ab Initio calculation of band gap renormalization in highly excited GaAs

S. Louie, C. Spataru, L. Benedict, 2002, cond-mat/0401407.

Systematic determination of absolute absorption cross-section of individual carbon nanotubes

S. Louie, X. Bai, E. Wang, 2013, Proceedings of the National Academy of Sciences.

Evolution of interlayer coupling in twisted molybdenum disulfide bilayers

S. Louie, D. Qiu, A. Zettl, 2014, Nature Communications.

Negative Donor Centers in High Magnetic Fields and Quantum Wells

S. Louie, T. Pang, 1992 .

Origins of Singlet Fission in Solid Pentacene from an ab initio Green's Function Approach.

S. Louie, J. Neaton, Felipe H. da Jornada, 2017, Physical review letters.

Probing the out-of-plane distortion of single point defects in atomically thin hexagonal boron nitride at the picometer scale.

S. Louie, P. Denes, A. Zettl, 2011, Physical review letters.

Conceptual foundations of materials : a standard model for ground- and excited-state properties

Steven G. Louie, S. Louie, Marvin L. Cohen, 2006 .

Narrow-band high-lying excitons with negative-mass electrons in monolayer WSe2

S. Louie, Kenji Watanabe, T. Taniguchi, 2021, Nature Communications.

Exciton Shift Currents: DC Conduction with Sub-bandgap Photo Excitations

S. Louie, D. Qiu, Y. Chan, 2019, 1904.12813.

Valley-dependent exciton fine structure and Autler–Townes doublets from Berry phases in monolayer MoSe2

S. Louie, Kenji Watanabe, T. Taniguchi, 2018, Nature Materials.

Graphene Dirac fermions in one-dimensional inhomogeneous field profiles: Transforming magnetic to electric field

S. Louie, L. Tan, Cheol-Hwan Park, 2009, 0906.4975.

Controlled growth of a line defect in graphene and implications for gate-tunable valley filtering

S. Louie, A. Zettl, C. Kisielowski, 2014, 1406.0887.

Electronic and Optical Properties of Conjugated Polymers

S. Louie, M. L. Tiago, 2001 .

Low-energy structures of K atoms in expandedK3C60monolayers:Ab initiopseudopotential density-functional calculations

S. Louie, H. Choi, Y. Byun, 2008 .

Bound excitons in metallic single-walled carbon nanotubes.

Jack Deslippe, David Prendergast, S. Louie, 2007, Nano letters.

Manipulation and characterization of aperiodical graphene structures created in a two-dimensional electron gas.

S. Louie, L. Tan, Weihua Wang, 2014, Physical review letters.

Nonlocal exchange correlation in screened-exchange density functional methods

S. Louie, Lin-wang Wang, C. Spataru, 2007 .

High accuracy many-body calculational approaches for excitations in molecules.

M. L. Cohen, J C Grossman, S. Louie, 2000, Physical review letters.

Self-interaction in Green ’ s-function theory of the hydrogen atom

Cheol-Hwan Park, Li Yang, Young-Woo Son, 2007 .

Electric Field Tunable Topological Phases in Graphene Nanoribbons

S. Louie, Ting Cao, Fangzhou Zhao, 2021, 2102.04440.

MICROSCOPIC DETERMINATION OF THE INTERLAYER BINDING ENERGY IN GRAPHITE

Steven G. Louie, Vincent H. Crespi, Alex Zettl, 1998 .

Theory of the Raman spectrum of rotated double-layer graphene

S. Louie, L. Tan, Sinisa Coh, 2013, 1304.5002.

Imaging moiré flat bands in three-dimensional reconstructed WSe2/WS2 superlattices

Mit H. Naik, S. Louie, Kenji Watanabe, 2020, Nature Materials.

Erratum: Optical Spectrum of MoS 2 : Many-Body Effects and Diversity of Exciton States [Phys. Rev. Lett. 111, 216805 (2013)]

Steven G. Louie, Felipe H. da Jornada, Diana Y. Qiu, 2015 .

Subangstrom edge relaxations probed by electron microscopy in hexagonal boron nitride.

S. Louie, M. Sarahan, Q. Ramasse, 2012, Physical review letters.

TOTAL ENERGY METHOD FOR SOLIDS AND SOLID SURFACES

D. Vanderbilt, S. Louie, J. Chelikowsky, 1984 .

Total energies of diamond (111) surface reconstructions by a linear combination of atomic orbitals method

Steven G. Louie, David Vanderbilt, D. Vanderbilt, 1984 .

Visualizing Exotic Orbital Texture in the Single-Layer Mott Insulator 1T-TaSe2

S. Louie, M. Crommie, C. Jia, 2019, 1904.11010.

Unifying Optical Selection Rules for Excitons in Two Dimensions: Band Topology and Winding Numbers.

S. Louie, Ting Cao, Meng Wu, 2018, Physical review letters.

Cyclopentadiene stability: Quantum Monte Carlo, coupled cluster, and density functional theory determinations

S. Louie, W. Lester, J. Grossman, 1999 .

New generation of massless Dirac fermions in graphene under external periodic potentials.

Cheol-Hwan Park, Li Yang, Young-Woo Son, 2008, Physical review letters.

Observation of carrier-density-dependent many-body effects in graphene via tunneling spectroscopy.

S. Louie, Cheol-Hwan Park, Yuanbo Zhang, 2010, Physical review letters.

Inelastic carrier lifetime in bilayer graphene

S. Louie, C. Spataru, Cheol-Hwan Park, 2012 .

Optimizing the design of artificial lattices

Steven G. Louie, Liang Z. Tan, S. Louie, 2013 .

Observing Atomic Collapse Resonances in Artificial Nuclei on Graphene

Steven G. Louie, Yang Wang, Andrey V. Shytov, 2013, Science.

Accelerating Large-Scale GW Calculations on Many-Core and Hybrid CPU+GPU HPC Systems

Steven G. Louie, Jack Deslippe, Mauro Del Ben, 2019 .

Accelerating Large-Scale GW Calculations on Hybrid GPU-CPU Systems

Steven G. Louie, Jack Deslippe, Charlene Yang, 2020 .

GW Calculations of Materials on the Intel Xeon-Phi Architecture

Steven G. Louie, James R. Chelikowsky, Jack Deslippe, 2016 .

BerkeleyGW 2018 Workshop Examples

David A. Strubbe, Steven G. Louie, Jack Deslippe, 2018 .

Accelerating Large-Scale GW Calculations on Hybrid CPU-GPU Architectures

C. Yang, S. Louie, J. Deslippe, 2019 .

Quasiparticle Effects on Tunneling Currents

Steven G. Louie, Gian-Marco Rignanese, Xavier Blase, 2001 .

Energy Minimization Calculations for Diamond (111) Surface Reconstructions

D. Vanderbilt, S. Louie, 1985 .

High thermoelectric power factor in two-dimensional crystals of Mo S 2

S. Louie, D. Qiu, Hanyu Zhu, 2017 .

Hypothetical hard structures of carbon with cubic symmetry

S. Louie, P. Tangney, M. Cohen, 2006 .

Electrostatically Driven Nanoballoon Actuator.

S. Louie, Sinisa Coh, A. Zettl, 2016, Nano letters.

Calculation of phonon-phonon interactions and the absence of two-phonon bound states in diamond

D. Vanderbilt, S. Louie, M. Cohen, 1984 .

GW study of the metal-insulator transition of bcc hydrogen

Steven G. Louie, Gian-Marco Rignanese, Xavier Blase, 2002 .

Bound excitons and optical properties of bulk trans-polyacetylene

Steven G. Louie, Murilo L. Tiago, Michael Rohlfing, 2004 .

A dielectric-defined lateral heterojunction in a monolayer semiconductor

S. Louie, T. Taniguchi, D. Qiu, 2019, Nature Electronics.

A dielectric-defined lateral heterojunction in a monolayer semiconductor

S. Louie, Kenji Watanabe, T. Taniguchi, 2019, Nature Electronics.

Exchange-driven intravalley mixing of excitons in monolayer transition metal dichalcogenides

Daniele M. Monahan, S. Louie, G. Fleming, 2018, Nature Physics.

Exchange-driven intravalley mixing of excitons in monolayer transition metal dichalcogenides

Daniele M. Monahan, S. Louie, G. Fleming, 2018, Nature Physics.

Si-O-Si bond-angle distribution in vitreous silica from first-principles 29 Si NMR analysis

Bernd G. Pfrommer, S. Louie, F. Mauri, 2000 .

NMR chemical shifts of ice and liquid water: The effects of condensation

Bernd G. Pfrommer, S. Louie, F. Mauri, 2000 .

Band Structure and Fermi Surface of Electron-Doped C60 Monolayers

S. Louie, F. Parmigiani, Z. Hussain, 2003, Science.

Boron Doped diamond films as electron donors in photovoltaics: An X-ray absorption and hard X-ray photoemission study

S. Louie, R. Hamers, Jinghua Guo, 2014 .

Excitons and Optical Spectrum of the Si ( 111 ) − ( 2 × 1 ) Surface

Steven G. Louie, Michael Rohlfing, S. Louie, 1999 .

Electronic structure of the ideal and reconstructed Si(001) surface

S. Louie, G. Kerker, M. Cohen, 1978 .

Self-consistent pseudopotential calculations for Ge and diamond (111) surfaces

S. Louie, J. Ihm, M. Cohen, 1978 .

Interlayer states in graphite and in alkali-metal-graphite intercalation compounds

Steven G. Louie, N. A. W. Holzwarth, S. Louie, 1984 .

Prediction of superconducting properties of CaB 2 using anisotropic Eliashberg theory

S. Louie, H. Choi, M. Cohen, 2009, 0906.2613.

Self-consistent calculations of interface states and electronic structure of the (110) interfaces of Ge-GaAs and AlAs-GaAs

S. Louie, W. Pickett, M. Cohen, 1978 .

Thermopower of amine-gold-linked aromatic molecular junctions from first principles.

S. Louie, J. Neaton, H. Choi, 2011, ACS nano.

Ab initio pseudopotential studies of equilibrium lattice structures and phonon modes of bulk BC 3

S. Louie, D. Roundy, Je-Luen Li, 2004 .

Theoretical Valence Charge Densities for Graphite, Diamond, and LiC6

S. Louie, N. Holzwarth, S. Rabii, 1984 .

Comparative study of the density of states of graphite and BC3

S. Louie, R. Wentzcovitch, M. Cohen, 1988 .

Electronic properties of bromine-doped carbon nanotubes

S. Louie, S. Jhi, M. Cohen, 2002 .

First-principles studies of quasiparticle band structures of cubic YH3 and LaH3

S. Louie, M. Chou, E. Chang, 2003 .

Electronic Structure of Graphite Intercalation Compounds

S. Louie, N. Holzwarth, S. Rabii, 1982 .

Calcium-decorated graphene-based nanostructures for hydrogen storage.

Hoonkyung Lee, S. Louie, J. Ihm, 2010, Nano letters.

Calcium-Decorated Carbon Nanotubes for High-Capacity Hydrogen Storage

S. Louie, J. Ihm, Hoonkyung Lee, 2009, 0901.2598.

Orientation-dependent C60 electronic structures revealed by photoemission spectroscopy.

S. Louie, F. Parmigiani, Z. Hussain, 2004, Physical review letters.

Structural properties and quasiparticle band structure of zirconia

S. Louie, E. Chang, Balázs Králik, 1998 .

Novel orientational ordering and reentrant metallicity in K(x)C(60) monolayers for 3 < or = x < or = 5.

S. Louie, K. Khoo, M. Crommie, 2007, Physical review letters.

Quantum confinement and optical gaps in Si nanocrystals

Steven G. Louie, Serdar Ogut, James R. Chelikowsky, 1997 .

Formation and Dynamics of Electron-Irradiation-Induced Defects in Hexagonal Boron Nitride at Elevated Temperatures.

S. Louie, A. Zettl, C. Song, 2016, Nano letters.

Ab initio quasiparticle band structure of ABA and ABC-stacked graphene trilayers

Steven G. Louie, S. Louie, R. Capaz, 2013, 1401.1411.

Band offsets in c-Si/Si-XII heterojunctions

S. Louie, B. Malone, J. Mustafa, 2014 .

Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS2

S. Louie, D. Qiu, A. Zettl, 2017, 1710.00119.

Works Title Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS 2 Permalink

S. Louie, D. Qiu, A. Zettl, 2017 .

Structural template increases electron-phonon interaction in an FeSe monolayer

S. Louie, Sinisa Coh, M. Cohen, 2014, 1407.5657.

Analysis of the low-temperature specific heat of multiwalled carbon nanotubes and carbon nanotube ropes

S. Louie, A. Zettl, L. Benedict, 1999 .

Electronic and structural properties of molecular C36

S. Louie, J. Grossman, M. Côté, 1998 .

Superconductivity near lattice instability: the case of NbC$_{1-x}$N$_x$ and NbN

S. Louie, S. Blackburn, M. Cohen, 2009, 0911.0096.

Evidence for excitonic insulator ground state in triangulene Kagome lattice

S. Louie, F. Fischer, Jingwei Jiang, 2023, 2301.06171.

Calculated optical and photoemission properties of Ge Se 2

S. Louie, 1982 .

Antiferromagnetism enables electron-phonon coupling in iron-based superconductors

S. Louie, Sinisa Coh, M. Cohen, 2015, 1512.05818.

Hydrogen in subsurface sites of Pd(111): self-consistent electronic structure

S. Louie, C. M. Chan, 1984 .

Tuning color centers at a twisted interface

S. Louie, Zikang Tang, Kenji Watanabe, 2021, 2108.04747.

Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters

Steven G. Louie, Michael Rohlfing, S. Louie, 1998 .

Multiple strong topological gaps and hexagonal warping in Bi4Te3

S. Louie, W. S. Silva, R. Magalhães-Paniago, 2022, Physical Review B.

Effects of self-consistency and plasmon-pole models on G W calculations for closed-shell molecules

S. Louie, J. Neaton, J. Deslippe, 2014, 1409.2901.

Role of electron-phonon coupling in excitonic insulator candidate Ta2NiSe5

S. Louie, A. Bostwick, E. Rotenberg, 2022, Physical Review Research.

Quasiparticle electronic structure of bismuth telluride in the GW approximation

S. Louie, M. L. Tiago, E. Kioupakis, 2010 .

Giant exciton-enhanced shift currents and direct current conduction with subbandgap photo excitations produced by many-electron interactions

S. Louie, D. Qiu, Felipe H. da Jornada, 2021, Proceedings of the National Academy of Sciences.

Quasiparticle effects on tunneling currents: a study of C2H4 adsorbed on the Si(001)- (2 x 1) surface.

S. Louie, G. Rignanese, X. Blase, 2001, Physical review letters.

Record High Thermoelectric Powerfactor in Single and Few-Layer MoS$_2$

S. Louie, D. Qiu, Hanyu Zhu, 2015, 1505.06779.

Energetics and structural stability of Cs3C60

S. Louie, S. Saito, K. Umemoto, 2004 .

Excitonic interactions and mechanism for ultrafast interlayer photoexcited response in van der Waals heterostructures

Mit H. Naik, S. Louie, Yang-hao Chan, 2023, 2305.17335.

Two-dimensional single-valley exciton qubit and optical spin magnetization generation

S. Louie, C. Ong, Zhenglu Li, 2022, 2211.03334.

Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition pdf

Steven G. Louie, Chao Yang, Diana Qiu, 2021, J. Comput. Phys..

Many-body effects in the X-ray absorption spectra of liquid water

S. Louie, R. Car, D. Qiu, 2022, Proceedings of the National Academy of Sciences of the United States of America.

Optical Properties of Silicon Nanocrystals: A First Principles Study

S. Louie, J. Chelikowsky, S. Ogut, 1999 .

Metal-Insulator Transition in Solid Xenon at High Pressures

S. Louie, H. Chacham, X. Zhu, 1991 .

Electron-phonon coupling from GW perturbation theory: Practical workflow combining BerkeleyGW, ABINIT, and EPW

S. Louie, G. Antonius, Yang-hao Chan, 2023, 2306.12075.

First-principles study of quasiparticle energies of a bipolar molecule in a scanning tunneling microscope measurement

S. Louie, G. Samsonidze, M. Cohen, 2014 .

CORE POLARIZATION IN SOLIDS: FORMULATION AND APPLICATION TO SEMICONDUCTORS

S. Louie, E. Shirley, Xuejun Zhu, 1997 .

Accelerating Optical Absorption Spectra and Exciton Energy Computation via Interpolative Separable Density Fitting

Chao Yang, Steven G. Louie, Wei Hu, 2018, ICCS.

Renormalization of molecular electronic levels at metal-molecule interfaces.

S. Louie, J. Neaton, M. Hybertsen, 2006, Physical Review Letters.

Dielectric screening and zone-center phonons in Si

S. Louie, M. Cohen, 1978 .

Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures

S. Louie, Á. Rubio, H. S. Sen, 2017 .

Broken symmetry and pseudogaps in ropes of carbon nanotubes

Steven G. Louie, Paul Delaney, S. Louie, 1998, Nature.

SOLID C36 : CRYSTAL STRUCTURES, FORMATION, AND EFFECTS OF DOPING

S. Louie, J. Grossman, M. Cohen, 1999 .

ELECTRON-PHONON INTERACTIONS IN SOLID C36

S. Louie, J. Grossman, M. Côté, 1998 .

Hydrostatic pressure effects on the structural and electronic properties of carbon nanotubes

S. Louie, R. Capaz, C. Spataru, 2004, cond-mat/0409241.

Vibrational properties of single walled carbon nanotubes under pressure from Raman scattering experiments and molecular dynamics simulations

S. Louie, P. Tangney, I. Choi, 2007 .

Structural transformations of carbon nanotubes under hydrostatic pressure.

S. Louie, R. Capaz, C. Spataru, 2005, Nano letters.

An explicit formula for optical oscillator strength of excitons in semiconducting single-walled carbon nanotubes: family behavior.

S. Louie, R. Capaz, J. Deslippe, 2013, Nano letters.

Topological Phases in Cove-Edged and Chevron Graphene Nanoribbons: Geometric Structures, [Formula: see text]2 Invariants, and Junction States.

S. Louie, J. Ihm, Ting Cao, 2018, Nano letters.

New localized-orbital method for calculating the electronic structure of molecules and solids: Covalent semiconductors

S. Louie, 1980 .

Optical spectroscopy of bilayer graphene

S. Louie, T. Tang, Cheol-Hwan Park, 2010 .

Tunable excitons in biased bilayer graphene.

S. Louie, Cheol-Hwan Park, 2010, Nano letters.

Diamond-metal interfaces and the theory of Schottky barriers

S. Louie, J. Ihm, M. Cohen, 1978 .

Does the existence of Majorana zero mode in superconducting vortices imply the superconductivity is topologically non-trivial?.

S. Louie, Dung-Hai Lee, Yen-Ta Huang, 2018, 1805.12150.

Unifying Optical Selection Rules for Excitons in Two Dimensions: Band Topology and Winding Numbers.

S. Louie, Ting Cao, Meng Wu, 2017, Physical review letters.

Theoretical study of solid iron nanocrystal movement inside a carbon nanotube

S. Louie, Sinisa Coh, M. Cohen, 2013, 1304.6438.

Ab initio GW quasiparticle calculation of small alkali-metal clusters

S. Louie, Y. Kawazoe, K. Ohno, 2002 .

Magnetic susceptibility of semiconductors by an all-electron first-principles approach

S. Louie, F. Mauri, K. Ohno, 1997 .

Nonlinear transport and localization in single-walled carbon nanotubes

S. Louie, P. Richards, M. Fuhrer, 1999 .

Nature of novel moir\'e exciton states in WSe$_2$/WS$_2$ heterobilayers

Mit H. Naik, S. Louie, Y. Yoon, 2022, 2201.02562.

Ab initio study of silicon in the R8 phase

Steven G. Louie, Bernd G. Pfrommer, Michel Côté, 1997 .

Identifying defects in nanoscale materials.

S. Louie, M. Ishigami, H. Choi, 2004, Physical review letters.

Electronic Structure and Energetics of MgB2 Nanotube

S. Louie, S. Saito, M. Cohen, 2007 .

GW approach to Anderson model out of equilibrium: Coulomb blockade and false hysteresis in the I − V characteristics

S. Louie, A. Millis, C. Spataru, 2009, 0903.2683.

Bloch-state-based interpolation: An efficient generalization of the Shirley approach to interpolating electronic structure

Steven G. Louie, David Prendergast, S. Louie, 2009 .

Mechanism for optical initialization of spin in NV − center in diamond

S. Louie, Manish Jain, Sang-Jun Choi, 2012 .

Dispersion and line shape of plasmon satellites in one, two, and three dimensions

S. Louie, J. Lischner, Derek Vigil-Fower, 2016, 1606.06619.

Two-dimensional ferromagnetism in few-layer van der Waals crystals: Renormalized spin-wave theory and calculations

S. Louie, Zhenglu Li, Ting Cao, 2018, Journal of Magnetism and Magnetic Materials.

Nonlocal-density-functional approximation for exchange and correlation in semiconductors

Steven G. Louie, Mark S. Hybertsen, S. Louie, 1984 .

Anomalous Insulator-Metal Transition in Boron Nitride-Graphene Hybrid Atomic Layers

D. J. Mowbray, S. Louie, P. Ajayan, 2011, 1105.1876.

Classification of topological trivial matter with non-trivial defects.

S. Louie, Dung-Hai Lee, Yen-Ta Huang, 2019, Science bulletin.

Dynamic sliding friction between concentric carbon nanotubes.

Paul Tangney, S. Louie, P. Tangney, 2004, Physical review letters.

Negative differential resistance in carbon atomic wire-carbon nanotube junctions.

S. Louie, J. Neaton, K. Khoo, 2008, Nano letters (Print).

Enhanced electron-hole interaction and optical absorption in a silicon nanowire

S. Louie, C. Spataru, M. Chou, 2007 .

Satellite band structure in silicon caused by electron-plasmon coupling

S. Louie, J. Lischner, Derek Vigil-Fowler, 2015, 1504.07794.

Ab initio calculations of pressure-induced structural phase transitions of GeTe

S. Louie, Cheol-Hwan Park, S. Jhi, 2010 .

Spatial resolution of a type II heterojunction in a single bipolar molecule.

Yasaman Bahri, Georgy Samsonidze, Yasaman Bahri, 2009, Nano letters.

GW quasiparticle corrections to the LDA+U/GGA+U electronic structure of bcc hydrogen

S. Louie, Peihong Zhang, E. Kioupakis, 2008 .

Site selectivities of alkali ions in CsRb2C60 and Cs2RbC60 superconductors

S. Louie, S. Saito, M. Cohen, 2007 .

Boron Nitride Nanotubes

R. J. Luyken, S. Louie, V. Crespi, 1995, Science.

Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies.

Louie, S. Louie, Hybertsen, 1986, Physical review. B, Condensed matter.

First-principles theory of quasiparticles: Calculation of band gaps in semiconductors and insulators.

Louie, S. Louie, Hybertsen, 1985, Physical review letters.

Surface atom motion to move iron nanocrystals through constrictions in carbon nanotubes under the action of an electric current.

S. Louie, Sinisa Coh, A. Zettl, 2013, Physical review letters.

Electronic Structure of Third-Stage Lithium Intercalated Graphite

S. Louie, N. Holzwarth, S. Rabii, 1981 .

Tuning Many-Body Interactions in Graphene: The Effects of Doping on Excitons and Carrier Lifetimes

Steven G. Louie, Jack Deslippe, Nicholas Petrone, 2013, 1312.7195.

Spatially dependent inelastic tunneling in a single metallofullerene.

S. Louie, K. Khoo, M. Crommie, 2005, Physical review letters.

Ab initio static dielectric matrices from the density-functional approach. I. Formulation and application to semiconductors and insulators.

Louie, S. Louie, Hybertsen, 1987, Physical review. B, Condensed matter.

Theory and observation of highly asymmetric atomic structure in scanning-tunneling-microscopy images of graphite.

Clarke, Louie, J. Clarke, 1987, Physical review. B, Condensed matter.

Crossed nanotube junctions

Yoon, Louie, Zettl, 2000, Science.

Pure carbon nanoscale devices: Nanotube heterojunctions.

Benedict, Cohen, Crespi, 1996, Physical review letters.

Fermi surface of NaxCoO2.

S. Louie, Peihong Zhang, W. Luo, 2004, Physical Review Letters.

Synthesis of BxCyNz nanotubules.

Miyamoto, Chopra, Cohen, 1995, Physical review. B, Condensed matter.

Chiral tubules of hexagonal BC2N.

Miyamoto, Cohen, Rubio, 1994, Physical review. B, Condensed matter.

Classification of charge density waves based on their nature

S. Louie, E. W. Plummer, Xuetao Zhu, 2015, Proceedings of the National Academy of Sciences.

Role of fluorine in the iron pnictides: phonon softening and effective hole doping.

S. Louie, F. Giustino, J. Noffsinger, 2009, Physical review letters.

Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals

S. Louie, J. Neaton, W. Peng, 2018, Nature Communications.

Exciton Lifetime and Optical Line Width Profile via Exciton-Phonon Interactions: Theory and First-Principles Calculations for Monolayer MoS2.

Mit H. Naik, S. Louie, J. Neaton, 2022, Nano letters.

Electronic properties of oxidized carbon nanotubes

Cohen, Louie, S. Louie, 2000, Physical review letters.

Strong correlations and orbital texture in single-layer 1T-TaSe2

S. Louie, M. Crommie, C. Jia, 2020, Nature Physics.

Prediction of a pure-carbon planar covalent metal.

Benedict, Cohen, Crespi, 1996, Physical review. B, Condensed matter.

Static conductivity and superconductivity of carbon nanotubes: Relations between tubes and sheets.

Benedict, Cohen, Crespi, 1995, Physical review. B, Condensed matter.

Electron excitations in solid C60: Energy gap, band dispersions, and effects of orientational disorder.

Shirley, Louie, S. Louie, 1993, Physical review letters.

Quasiparticle band structure of bulk hexagonal boron nitride and related systems.

Cohen, Rubio, Louie, 1995, Physical review. B, Condensed matter.

Hybridization effects and metallicity in small radius carbon nanotubes.

Benedict, Shirley, Louie, 1994, Physical review letters.

Ab initio study of silicon in the R 8 phase

Bernd G. Pfrommer, S. Louie, M. Côté, 1997 .

Static polarizabilities of single-wall carbon nanotubes.

Benedict, Cohen, Louie, 1995, Physical review. B, Condensed matter.

Electron supercollimation in graphene and Dirac fermion materials using one-dimensional disorder potentials.

S. Louie, Cheol-Hwan Park, Sang-Jun Choi, 2014, Physical review letters.

Energy- and momentum-visualized ultrafast crossover of photoexcited electron-hole states in 2D semiconductors

S. Louie, C. Shih, Woojoo Lee, 2022, The International Conference on Ultrafast Phenomena (UP) 2022.

Universal slow plasmons and giant field enhancement in atomically thin quasi-two-dimensional metals

S. Louie, Á. Rubio, Felipe H. da Jornada, 2020, Nature Communications.

Wigner crystallization in the fractional quantum Hall regime: A variational quantum Monte Carlo study.

S. Louie, Xuejun Zhu, 1993, Physical Review Letters.

Two-gap superconductivity and decisive role of rare-earth $d$ electrons in infinite-layer nickelates

S. Louie, Zhenglu Li, 2022, 2210.12819.

Theory of exciton-phonon coupling

S. Louie, G. Antonius, 2017, Physical review B.

Geometry and electronic structure of iridium adsorbed on graphene

S. Louie, Sinisa Coh, A. Zettl, 2019, Physical Review B.

Recent Advances in Two-Dimensional Materials beyond Graphene.

S. Louie, Yeonwoong Jung, F. Xia, 2015, ACS nano.

Theoretical study of a three-dimensional all-sp{sup 2} structure

S. Louie, J. Grossman, M. Côté, 1998 .

Tunable excitons in bilayer graphene

S. Louie, P. McEuen, Kenji Watanabe, 2017, Science.

Optically controlled single-valley exciton doublet states with tunable internal spin structures and spin magnetization generation

S. Louie, C. Ong, Zhenglu Li, 2022, Proceedings of the National Academy of Sciences of the United States of America.

Ab initio GW quasiparticle energies of small sodium clusters by an all-electron mixed-basis approach

S. Louie, Y. Kawazoe, K. Ohno, 2001 .

as in metal

S. Louie, S. Barja, J. Neaton, 2019 .

Mechanical instability and ideal shear strength of transition metal carbides and nitrides.

M. L. Cohen, S. Louie, S. Jhi, 2001, Physical review letters.

Ab initio calculation of coverage-dependent adsorption properties of H on Pd(001).

Chan, Louie, S. Louie, 1986, Physical review letters.

Using dynamic mode decomposition to predict the dynamics of a two-time non-equilibrium green’s function

S. Louie, D. Qiu, Felipe H. da Jornada, 2022, Journal of Computational Science.

Fermi surfaces and quantum oscillations in underdoped high-T$_{c}$ superconductors YBa$_{2}$Cu$_{3}$O$_{6.5 }$and YBa$_{2}$Cu$_{4}$O$_{8}$

S. Louie, H. Choi, Hyungju Oh, 2010 .

Concentration Dependence of Dopant Electronic Structure in Bottom-up Graphene Nanoribbons.

Daniel J. Rizzo, S. Louie, F. Fischer, 2018, Nano letters.

Electron dynamics in transition metal dichalcogenides utilizing attosecond transient absorption spectroscopy

S. Louie, S. Leone, D. Qiu, 2018, 2018 Conference on Lasers and Electro-Optics (CLEO).

Electronic and optical properties of body-centered-tetragonal Si and Ge

S. Louie, B. Malone, M. Cohen, 2010 .

Pseudopotential total-energy study of the transition from rhombohedral graphite to diamond.

Cohen, Louie, S. Louie, 1986, Physical review. B, Condensed matter.

Non-local density functional theory for the electronic and structural properties of semiconductors

S. Louie, M. Hybertsen, 1984 .

CALCULATION OF OPTICAL GAPS IN SILICON IN THE SCREENED EXCHANGE-COULOMB HOLE APPROXIMATION

S. Louie, M. Hybertsen, 1985 .

Excitons in solid C60.

Benedict, Shirley, Louie, 1996, Physical review. B, Condensed matter.

Ab initio calculation of phonon spectra for graphite, BN, and BC2N sheets.

Miyamoto, Cohen, Louie, 1995, Physical review. B, Condensed matter.

Electron Correlations in Semiconductors: Bulk Cohesive Properties and Magnetic-Field-Induced Wigner Crystal at Heterojunctions

S. Louie, X. Zhu, 1992 .

Lawrence Berkeley National Laboratory Recent Work Title Electron Correlations in Semiconductors : Bulk Cohesive Properties and Magnetic-Field-Induced

S. Louie, Xuejun Zhu, 2013 .

Quantum Monte Carlo and density functional theory characterization of 2-cyclopentenone and 3-cyclopentenone formation from O(3P) + cyclopentadiene

S. Louie, W. Lester, J. Grossman, 2000 .

Topological band engineering of graphene nanoribbons

Daniel J. Rizzo, S. Louie, F. Fischer, 2018, Nature.

Ab Initio Theory of NMR Chemical Shifts in Solids and Liquids.

Bernd G. Pfrommer, Louie, S. Louie, 1996, Physical review letters.

Theory of metastable Group-IV alloys formed from CVD precursors

S. Louie, V. Crespi, Peihong Zhang, 2001 .

Band structures of CsCl-structured BaS and CaSe at high pressure: Implications for metallization pressures of the alkaline earth chalcogenides

S. Louie, M. Rohlfing, M. Côté, 1998 .

Electron momentum distribution in graphite and lithium-intercalated graphite

S. Louie, M. Chou, N. Holzwarth, 1984 .

Correlation Effects in the Compton Profile of Silicon

S. Louie, P. Delaney, Balázs Králik, 1998 .

Giant wave-drag enhancement of friction in sliding carbon nanotubes.

S. Louie, M. Cohen, Paul Tangney, 2006, Physical review letters.

Optimization of metal dispersion in doped graphitic materials for hydrogen storage

S. Louie, N. Park, S. Jhi, 2008 .

Enhancement of surface hardness: Boron on Diamond (111)

S. Louie, J. Ihm, Seungwu Han, 1998 .