O. Sugino

Y. Ando, O. Sugino, Y. Hori, 1998, Conference Proceedings. 1998 International Conference on Indium Phosphide and Related Materials (Cat. No.98CH36129).

First-principles electronic structure investigation of HgBa2Can−1CunO2n+2+x with the SCAN density functional

O. Sugino, J. Haruyama, Alpin N. Tatan, 2022, AIP Advances.

First-Principles Calculation of Copper Oxide Superconductors That Supports the Kamimura-Suwa Model

K. Shiraishi, O. Sugino, J. Tsai, 2020 .

Advances and challenges for experiment and theory for multi-electron multi-proton transfer at electrified solid-liquid interfaces.

O. Sugino, K. Sakaushi, T. Kumeda, 2020, Physical chemistry chemical physics : PCCP.

Hydrogen adsorption on Pt(111) revisited from random phase approximation.

I. Hamada, O. Sugino, S. Kasamatsu, 2018, The Journal of chemical physics.

First-principles investigation of polarization and ion conduction mechanisms in hydroxyapatite.

O. Sugino, S. Kasamatsu, 2017, Physical chemistry chemical physics : PCCP.

UNUSUAL TI ADSORPTION ON SI(001) AND SUBSEQUENT ACTIVATION OF SI EJECTION

O. Sugino, T. Ohno, Y. Miyamoto, 1998 .

Favorable formation of the C49-TiSi2 phase on Si(001) determined by first-principles calculations

O. Sugino, T. Ohno, B. D. Yu, 1998 .

Structural and electronic properties of metal-silicide/silicon interfaces: A first-principles study

O. Sugino, T. Ohno, Y. Miyamoto, 2001 .

Dimer Reconstruction at Metal-Silicide/Silicon Interfaces: A First-Principles Study

O. Sugino, T. Ohno, B. D. Yu, 1999 .

Jahn-Teller-Effect Induced Superconductivity in Copper Oxides: Theoretical Developments

O. Sugino, J. Tsai, H. Kamimura, 2017 .

Second-order nonadiabatic couplings from time-dependent density functional theory: evaluation in the immediate vicinity of Jahn-Teller/Renner-Teller intersections.

O. Sugino, Chunping Hu, Kazuyuki Watanabe, 2011, The Journal of chemical physics.

Reverse Stability of Oxyluciferin Isomers in Aqueous Solutions.

H. Akiyama, O. Sugino, M. Shiga, 2016, The journal of physical chemistry. B.

Performance of Tamm-Dancoff approximation on nonadiabatic couplings by time-dependent density functional theory.

O. Sugino, Chunping Hu, Kazuyuki Watanabe, 2014, The Journal of chemical physics.

Average excitation energies from time-dependent density functional response theory.

O. Sugino, Chunping Hu, 2007, The Journal of chemical physics.

Quantitative characterization of exciton from GW+Bethe-Salpeter calculation.

O. Sugino, Y. Noguchi, Daichi Hirose, 2017, The Journal of chemical physics.

Calculation of atomic excitation energies by time-dependent density functional theory within a modified linear response

O. Sugino, Y. Tateyama, Chunping Hu, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Pressure dependence of the magnetic ground states in MnP

S. Chi, F. Ye, H. Zhou, 2016, 1602.09003.

Surface-state Coulomb repulsion accelerates a metal-insulator transition in topological semimetal nanofilms

O. Sugino, F. Komori, J. Haruyama, 2019, Science Advances.

Edge-state correlation accelerates a metal-insulator transition in topological semimetal nanofilms

O. Sugino, F. Komori, J. Haruyama, 2019 .

Functional-renormalization-group approach to classical liquids with short-range repulsion: A scheme without repulsive reference system.

J. Haruyama, O. Sugino, Takeru Yokota, 2021, Physical review. E.

First-principles molecular dynamics at a constant electrode potential.

Tetsuya Morishita, Nicéphore Bonnet, Minoru Otani, 2012, Physical review letters.

First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach

Minoru Otani, Osamu Sugino, O. Sugino, 2006 .

Analytical expression for the excited-state force from density-functional perturbation theory

Osamu Sugino, O. Sugino, Takayuki Tsukagoshi, 2012 .

Electronic Structures of Borophene

O. Sugino, Kehui Wu, B. Feng, 2020 .

Quantum-mechanical hydration plays critical role in the stability of firefly oxyluciferin isomers: State-of-the-art calculations of the excited states.

H. Akiyama, O. Sugino, M. Shiga, 2020, The Journal of chemical physics.

Development of the Bethe-Salpeter method considering second-order corrections for a GW electron-hole interaction kernel

K. Ohno, O. Sugino, Y. Noguchi, 2022, Physical Review B.

Optical properties of six isomers of three dimensionally delocalized π-conjugated carbon nanocage

O. Sugino, Y. Noguchi, Daichi Hirose, 2018, The European Physical Journal B.

The effect of dynamical fluctuations of hydration structures on the absorption spectra of oxyluciferin anions in an aqueous solution.

H. Akiyama, O. Sugino, M. Shiga, 2017, Physical chemistry chemical physics : PCCP.

Four-body correlation embedded in antisymmetrized geminal power wave function.

O. Sugino, A. Kawasaki, 2016, The Journal of chemical physics.

All-electronGW+Bethe-Salpeter calculations on small molecules

Osamu Sugino, Yoshifumi Noguchi, O. Sugino, 2015 .

Nonadiabatic couplings from time-dependent density functional theory: formulation in the Casida formalism and practical scheme within modified linear response.

O. Sugino, Chunping Hu, H. Hirai, 2007, The Journal of chemical physics.

Self-Poisoning Dynamical Effects in the Oxygen Reduction Reaction on Pt(111) from a Top-Down Kinetic Analysis

O. Sugino, M. Otani, N. Bonnet, 2014 .

Effect of thermal motion on catalytic activity of nanoparticles in polar solvent.

Nicéphore Bonnet, Minoru Otani, Osamu Sugino, 2014, The Journal of chemical physics.

Nuclear quantum effect for hydrogen adsorption on Pt(111)

O. Sugino, M. Shiga, Lei Yan, 2020 .

The charged interface between Pt and water: First principles molecular dynamics simulations

I. Hamada, O. Sugino, I. Yagi, 2012 .

Structure of the water/platinum interface--a first principles simulation under bias potential.

Yoshitada Morikawa, Yasuharu Okamoto, Tamio Ikeshoji, 2008, Physical chemistry chemical physics : PCCP.

First-principles molecular dynamics simulation of biased electrode/solution interface

Yoshitada Morikawa, Yasuharu Okamoto, Tamio Ikeshoji, 2007 .

Covalency, elasticity and electron correlation in Si vacancies

O. Sugino, A. Oshiyama, M. Saito, 1995 .

Band gap of β-PtO2 from first-principles

O. Sugino, T. Ohno, Yong Yang, 2012 .

Electrode Dynamics from First Principles

I. Hamada, O. Sugino, Y. Okamoto, 2008 .

Graphitic ribbons without hydrogen-termination: Electronic structures and stabilities

Yoshinori Koga, Yoshiyuki Miyamoto, Osamu Sugino, 2000 .

Completing density functional theory by machine learning hidden messages from molecules

Ryo Nagai, Ryosuke Akashi, Osamu Sugino, 2019, npj Computational Materials.

Magic Numbers of Multivacancy in Crystalline Si: Tight-Binding Studies for the Stability of the Multivacancy

O. Sugino, T. Akiyama, A. Oshiyama, 1998 .

First-Principles Study of the Step Oxidation at Vicinal Si(001) Surfaces

Hanchul Kim, O. Sugino, T. Ohno, 2006 .

First-principles calculations of thermal electron emission from H$^-$ in silicon

O. Sugino, Yoshiyuki Yamamoto, Alpin N. Tatan, 2020, 2005.14103.

Discovery of 2D Anisotropic Dirac Cones

O. Sugino, F. Komori, Kehui Wu, 2018, Advanced materials.

First-principles thermodynamic description of hydrogen electroadsorption on the Pt(111) surface

O. Sugino, Y. Takimoto, T. T. Hanh, 2014 .

Improved modeling of electrified interfaces using the effective screening medium method

Minoru Otani, Ikutaro Hamada, Osamu Sugino, 2013 .

Insights Into Defect Arrangements in Y-Doped BaZrO3 From Large-Scale First-Principles Thermodynamic Sampling: Association, Repulsion, Percolation, and Trapping

A. Kuwabara, O. Sugino, S. Kasamatsu, 2020 .

Surface Pourbaix diagrams and oxygen reduction activity of Pt , Ag and Ni ( 111 ) surfaces studied by DFT

I. Hamada, O. Sugino, 2008 .

Scaling Relation of Oxygen Reduction Reaction Intermediates at Defective TiO2 Surfaces

O. Sugino, S. Kasamatsu, Yoshiyuki Yamamoto, 2019, The Journal of Physical Chemistry C.

Oxygen reduction reaction (ORR) in acidic media with nanostructured metal oxide-based electrocatalysts

O. Sugino, K. Ota, A. Ishihara, 2021 .

Elucidation of Spin-Correlations, Fermi Surface and Pseudogap in a Copper Oxide Superconductor

K. Shiraishi, O. Sugino, J. Tsai, 2023, Condensed Matter.

Theoretical calculation and comparison of H diffusion on Cu(111), Ni(111), Pd(111), and Au(111)

O. Sugino, J. Haruyama, Y. Kataoka, 2023, Physical review B.

Nonadiabatic couplings from time-dependent density functional theory: Formulation by the Kohn-Sham derivative matrix within density functional perturbation theory

O. Sugino, Chunping Hu, Kazuyuki Watanabe, 2013 .

Density-functional approach to electron dynamics: Stable simulation under a self-consistent field

Yoshiyuki Miyamoto, Osamu Sugino, O. Sugino, 1999 .

A GW+Bethe-Salpeter calculation on photoabsorption spectra of (CdSe)3 and (CdSe)6 clusters.

K. Ohno, O. Sugino, Y. Noguchi, 2012, The Journal of chemical physics.

Nonadiabatic couplings from time-dependent density functional theory. II. Successes and challenges of the pseudopotential approximation.

O. Sugino, Chunping Hu, H. Hirai, 2008, The Journal of chemical physics.

Quantum dissipative dynamics using the Doebner-Goldin equation

O. Sugino, T. Tsukagoshi, 2012 .

Hyper-Volcano Surface for Oxygen Reduction Reactions over Noble Metals

O. Sugino, Y. Okamoto, 2010 .

Experimental realization of two-dimensional Dirac nodal line fermions in monolayer Cu2Si

Cheng-Cheng Liu, O. Sugino, S. Kasamatsu, 2016, Nature Communications.

First-principles dynamics of defect reactions triggered by electronic excitation

Y. Mochizuki, O. Sugino, Y. Miyamoto, 1999 .

Real-time electron-ion dynamics for photoinduced reactivation of hydrogen-passivated donors in GaAs

Y. Mochizuki, O. Sugino, Y. Miyamoto, 1999 .

Suppression of atomic displacive excitation in photo-induced A1g phonon mode of bismuth unveiled by low-temperature time-resolved x-ray diffraction

K. Tamasaku, T. Togashi, M. Yabashi, 2021, Applied Physics Letters.

Conjugate-Gradient Total-Energy Minimization: Defects in Silicon

O. Sugino, A. Oshiyama, M. Saito, 1993 .

Far Infrared Optical Properties of Amorphous As–Se System

O. Sugino, Michio Kato, S. Onari, 1982 .

A localized-orbital Hartree-Fock description of alkali metal clusters

O. Sugino, H. Kamimura, 1990, Physical review letters.

Second-order nonadiabatic couplings from time-dependent density functional theory: evaluation in the immediate vicinity of Jahn-Teller/Renner-Teller intersections.

O. Sugino, Chunping Hu, Kazuyuki Watanabe, 2011, The Journal of chemical physics.

A time-dependent density-functional approach to nonadiabatic electron-nucleus dynamics: formulation and photochemical application.

O. Sugino, H. Hirai, 2009, Physical chemistry chemical physics : PCCP.

All-electron calculation of nonadiabatic couplings from time-dependent density functional theory: Probing with the Hartree-Fock exact exchange.

O. Sugino, Y. Tateyama, Chunping Hu, 2009, The Journal of chemical physics.

Symmetric tensor decomposition description of fermionic many-body wave functions.

O. Sugino, Wataru Uemura, 2012, Physical review letters.

Molecular dynamics study of adatom diffusion on Si(100) surface — importance of the exchange mechanism

O. Sugino, Tomonori Iijima, 1997 .

Theoretical Study on Photodissociation Processes of Lithium Metal Microclusters

O. Sugino, H. Kamimura, 1987 .

The effect of dynamical fluctuations of hydration structures on the absorption spectra of oxyluciferin anions in an aqueous solution.

H. Akiyama, O. Sugino, M. Shiga, 2017, Physical chemistry chemical physics : PCCP.

酸化物電極触媒の計算予測

O. Sugino, S. Kasamatsu, Shibghatullah Muhammady, 2023, Vacuum and Surface Science.

First Principles Study of Atomic-Scale Al2O3 Films as Insulators for Magnetic Tunnel Junctions

N. Watari, O. Sugino, H. Tsuge, 2000 .

21pWA-10 Simulation of Nonadiabatic Chemical Reaction using TD-DFT

O. Sugino, H. Hirai, 2007 .