Manish Jain

发表

Reliability of hybrid functionals in predicting band gaps.

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

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.

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

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

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

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

First principles simulations of SiGe for the liquid and amorphous states

J. Chelikowsky, Manish Jain, Eunjung Ko, 2002 .

Efficient Computation of the Hartree-Fock Exchange in Real-Space with Projection Operators.

Nicholas M. Boffi, Manish Jain, A. Natan, 2016, Journal of chemical theory and computation.

Parallel implementation of time-dependent density functional theory☆

Yousef Saad, James R. Chelikowsky, Leeor Kronik, 2003 .

First-principles simulations of liquid ZnTe

J. Chelikowsky, J. Derby, Manish Jain, 2001 .

Ab initio simulations of liquid semiconductors using the pseudopotential-density functional method

J. Chelikowsky, J. Derby, Manish Jain, 2001 .

Spin density encodes intramolecular singlet exciton fission in pentacene dimers

Manish Jain, U. Salzner, S. Patil, 2019, Nature Communications.

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

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

Polarization discontinuity driven two dimensional electron gas at A$_2$Mo$_3$O$_8$/B$_2$Mo$_3$O$_8$ (A, B : Zn,Mg,Cd) interfaces

Manish Jain, T. Biswas, 2018 .

Native point defects in mono and bilayer phosphorene

Mit H. Naik, Manish Jain, Sudipta Kundu, 2020, Physical Review Materials.

Substrate screening effects on the quasiparticle band gap and defect charge transition levels in MoS2

Mit H. Naik, Manish Jain, 2017, Physical Review Materials.

Anomalous electrical transport in orientationally controlled trinary hybrids of graphene and twisted bilayer molybdenum disulphide

Manish Jain, Arindam Ghosh, Sudipta Kundu, 2021, Bulletin of Materials Science.

Synergistic Effect of Mo plus Cu Codoping on the Photocatalytic Behavior of Metastable TiO2 Solid Solutions

Manish Jain, S. Raghavan, Tiju Thomas, 2014 .

Multiscale modelling reveals higher charge transport efficiencies of DNA relative to RNA independent of mechanism.

Manish Jain, R. Venkatramani, A. Aggarwal, 2020, Nanoscale.

Kolmogorov–Crespi Potential For Multilayer Transition-Metal Dichalcogenides: Capturing Structural Transformations in Moiré Superlattices

Mit H. Naik, Manish Jain, I. Maity, 2019, The Journal of Physical Chemistry C.

Exciton fine structure in twisted transition metal dichalcogenide heterostructures

H. R. Krishnamurthy, Manish Jain, Sudipta Kundu, 2022, npj Computational Materials.

Electronic and thermoelectric properties of Zn and Se double substituted tetrahedrite.

Mit H. Naik, Manish Jain, R. Chetty, 2018, Physical chemistry chemical physics : PCCP.

Nanopantography: a new method for massively parallel nanopatterning over large areas.

V. M. Donnelly, D. J. Economou, Manish Jain, 2005, Nano letters.

Etching of nanopatterns in silicon using nanopantography

V. M. Donnelly, D. J. Economou, Manish Jain, 2008 .

CoFFEE: Corrections For Formation Energy and Eigenvalues for charged defect simulations

Manish Jain, Mit H. Naik, Manish Jain, 2017, Comput. Phys. Commun..

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

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

Hybridization and bond-orbital components in site-specific X-ray photoelectron spectra of rutile TiO2.

D. Heskett, J. Woicik, J. Chelikowsky, 2002, Physical review letters.

Experimental Determination of Chemical Hybridization in Rutile TiO 2 using Site-specific X-ray Photoelectron Spectroscopy

D. Heskett, L. Kronik, Manish Jain, 2001 .

Electrical and optical properties of low-bandgap oxide Zn2Mo3O8 for optoelectronic applications

Manish Jain, R. Ranjan, S. Avasthi, 2019, Thin Solid Films.

Breakdown of semiclassical description of thermoelectricity in near-magic angle twisted bilayer graphene

H. R. Krishnamurthy, Kenji Watanabe, T. Taniguchi, 2021, Nature communications.

Simulating Semiconductor Liquids with Ab Initio Pseudopotentials and Quantum Forces

J. Chelikowsky, J. Derby, Manish Jain, 2003 .

Oxygen Vacancy‐Induced Topological Hall Effect in a Nonmagnetic Band Insulator

Manish Jain, V. Ganesan, S. Middey, 2020, Advanced Quantum Technologies.

Efficient first-principles calculations of the electronic structure of periodic systems

Manish Jain, Yousef Saad, James R. Chelikowsky, 2007, Comput. Phys. Commun..

Polarization discontinuity driven two dimensional electron gas at A2Mo3O8/B2Mo3O8 (A, B: Zn, Mg, Cd) interfaces

Manish Jain, T. Biswas, 2018, Journal of Applied Physics.

Optical Properties of Zn2Mo3O8: Combination of Theoretical and Experimental Study

Manish Jain, R. Ranjan, S. Avasthi, 2017 .

Structural-modulation-driven spin canting and reentrant glassy magnetic phase in ferromagnetic Lu2MnNiO6

Manish Jain, S. Elizabeth, S. Yusuf, 2015 .

Partial density of occupied valence states by x-ray standing waves and high-resolution photoelectron spectroscopy

J. Woicik, J. Chelikowsky, L. Kronik, 2001 .

Application of time-dependent density-functional theory to molecules and nanostructures

J. Chelikowsky, Manish Jain, I. Vasiliev, 2009 .

Reconstruction of moiré lattices in twisted transition metal dichalcogenide bilayers

H. R. Krishnamurthy, Manish Jain, I. Maity, 2019, Physical Review B.

Ultraflatbands and Shear Solitons in Moiré Patterns of Twisted Bilayer Transition Metal Dichalcogenides.

Mit H. Naik, Manish Jain, Manish Jain, 2018, Physical review letters.

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..

Excess entropy and breakdown of semiclassical description of thermoelectricity in twisted bilayer graphene close to half filling

H. R. Krishnamurthy, Kenji Watanabe, T. Taniguchi, 2020, 2004.12356.

Quantized edge modes in atomic-scale point contacts in graphene.

H. R. Krishnamurthy, Manish Jain, V. Shenoy, 2017, Nature nanotechnology.

Gap renormalization of molecular crystals from density-functional theory

Jeffrey B. Neaton, Leeor Kronik, Roi Baer, 2013 .

Phonons in twisted transition-metal dichalcogenide bilayers: Ultrasoft phasons and a transition from a superlubric to a pinned phase

H. R. Krishnamurthy, Mit H. Naik, Manish Jain, 2019, Physical Review Research.

Anharmonicity in Raman-active phonon modes in atomically thin MoS2

Manish Jain, J. Renard, V. Bouchiat, 2020, 2009.04206.

Origin and evolution of ultraflat bands in twisted bilayer transition metal dichalcogenides: Realization of triangular quantum dots

Mit H. Naik, Manish Jain, Sudipta Kundu, 2019, 1908.10399.

Origin of layer dependence in band structures of two-dimensional materials

Mit H. Naik, Manish Jain, 2017, 1703.00257.

Efficient hybrid and screened hybrid density functional calculations of carbon and silicon nanostructures electronic properties

Manish Jain, A. Natan, V. Lomakin, 2018, 2018 International Conference on Electromagnetics in Advanced Applications (ICEAA).

Misorientation-Controlled Cross-Plane Thermoelectricity in Twisted Bilayer Graphene.

T. Taniguchi, Manish Jain, K. Watanabe, 2020, Physical review letters.

Microscopic origin of low frequency noise in MoS2 field-effect transistors

Arindam Ghosh, Manish Jain, D. Sarma, 2014 .

Size dependent electronic properties of silicon quantum dots - An analysis with hybrid, screened hybrid and local density functional theory

X. Wang, M. Jain, D. Gabay, 2017, Comput. Phys. Commun..

Probing 2D black phosphorus by quantum capacitance measurements

Mit H. Naik, B. Chakraborty, A. Sood, 2015, Nanotechnology.

First-principles investigation of cubic BaRuO3: A Hund's metal

Manish Jain, M. Jarrell, N. Vidhyadhiraja, 2015, 1511.01371.

Ab initio structures and polarizabilities of sodium clusters

J. Chelikowsky, L. Kronik, Manish Jain, 2001 .

Thermoelectric properties of Co substituted synthetic tetrahedrite

Manish Jain, S. Suwas, R. Chetty, 2015 .

Evolution of high-frequency Raman modes and their doping dependence in twisted bilayer MoS2.

Manish Jain, V. Raghunathan, I. Maity, 2019, Nanoscale.

Electronic and Thermoelectric Properties of Transition Metal Substituted Tetrahedrites

Mit H. Naik, Manish Jain, R. Chetty, 2018 .

Electronic structure and spin polarization of MnxGa1-xN

J. Chelikowsky, L. Kronik, Manish Jain, 2002 .

Asymptotic behavior and interpretation of virtual states: The effects of confinement and of basis sets.

Nicholas M. Boffi, Manish Jain, A. Natan, 2016, The Journal of chemical physics.

Real-space pseudopotential method for computing the electronic properties of periodic systems

James R. Chelikowsky, Leeor Kronik, M. M. G. Alemany, 2004 .

Electronic structure and optical properties of F centers in α -alumina

Manish Jain, T. Biswas, 2019, Physical Review B.

Ultra-sensitive pressure dependence of bandgap of rutile-GeO2 revealed by many body perturbation theory.

Manish Jain, A. Singh, A. Samanta, 2015, The Journal of chemical physics.

Thermodynamically stable octahedral MoS2 in van der Waals hetero-bilayers

Mit H. Naik, U. Waghmare, Manish Jain, 2019, 2D Materials.

Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory

Jeffrey B. Neaton, Leeor Kronik, Sahar Sharifzadeh, 2015, 1505.01602.

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

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

Charge Transport in Dendrimer Melts Using Multiscale Modeling Simulation.

Manish Jain, Saientan Bag, P. Maiti, 2016, The journal of physical chemistry. B.

Magnitude and Origin of Electrical Noise at Individual Grain Boundaries in Graphene.

Manish Jain, S. Raghavan, K. Chattopadhyay, 2016, Nano letters.

Electronic structure and spin polarization of MnGaP

James R. Chelikowsky, Leeor Kronik, J. Chelikowsky, 2004 .

First-principles calculations of liquid CdTe at temperatures above and below the melting point

J. Chelikowsky, J. Derby, Manish Jain, 1999 .

Opening of large band gaps in metallic carbon nanotubes by mannose-functionalized dendrimers: experiments and theory

Manish Jain, Sudipta Kundu, K. S. Vasu, 2018, 1805.09759.

Temperature Dependent Layer Breathing Modes in Two Dimensional Materials

Manish Jain, I. Maity, P. Maiti, 2018, 1801.01753.

Population analysis with Wannier orbitals.

Manish Jain, Sudipta Kundu, Seung-Cheol Lee, 2020, The Journal of chemical physics.

Quasiparticle band structure and optical properties of hexagonal-YMnO3

Manish Jain, T. Biswas, 2016 .

Microscopic Origin of Charged Impurity Scattering and Flicker Noise in MoS2 field-effect Transistors

Manish Jain, D. Sarma, S. Mukherjee, 2014, 1403.3333.

PASTA: Python Algorithms for Searching Transition stAtes

Seung-Cheol Lee, Manish Jain, Sudipta Kundu, 2018, Comput. Phys. Commun..

Anisotropic Charge Transport in Nanoscale DNA Wire

Manish Jain, T. Biswas, Saientan Bag, 2020 .

Efficient Computation of the Hartree-Fock Exchange in Real-Space with Projection Operators.

Nicholas M. Boffi, Manish Jain, A. Natan, 2016, Journal of chemical theory and computation.

Magnitude and Origin of Electrical Noise at Individual Grain Boundaries in Graphene.

Manish Jain, S. Raghavan, K. Chattopadhyay, 2016, Nano letters.

Quantum MASALA: Quantum MAterialS Ab initio eLectronic-structure pAckage

Manish Jain, Shri Hari Soundararaj, Agrim Sharma, 2023, 2308.07277.

DNA versus RNA - which shows higher electronic conduction?

Manish Jain, R. Venkatramani, Saientan Bag, 2020, 2007.11309.

Evaluation of pressure derivatives of bulk modulus of NaClxBr1−x crystals

Manish Jain, B. P. Sharma, S. Goyal, 1995 .