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Extended quasiparticle approach to non-resonant and resonant X-ray emission spectroscopy

Physical chemistry chemical physics : PCCP, 2022-07, Vol.24 (27), p.16586-16595

2022

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A Monte Carlo simulation of water + oil + ABA block copolymer ternary system. I. Patterns in thermal equilibrium

AIP advances, 2021-05, Vol.11 (5), p.055312-055312-12

2021

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Momentum-dependent band spin splitting in semiconducting MnO2: a density functional calculation

Physical chemistry chemical physics : PCCP, 2016-05, Vol.18 (19), p.13294-13303

2016

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Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis

The Journal of chemical physics, 2024-05, Vol.160 (18)

2024

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A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter

Nature communications, 2019-08, Vol.10 (1), p.3451-10, Article 3451

2019

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Position Dependent Dielectric Function Near the Cu Surface

Journal of the Physical Society of Japan, 2022-11, Vol.91 (11)

2022

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Ab initio molecular dynamics simulation study of successive hydrogenation reactions of carbon monoxide producing methanol

The Journal of chemical physics, 2016-04, Vol.144 (14), p.144309-144309

2016

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Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO3 (M = Cr, Mn, Fe)

Journal of physics. Condensed matter, 2018-01, Vol.30 (7), p.075502-075502

2018

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Carbon Monoxide Hydrogenation on Ice Surfaces

Chemphyschem, 2018-06, Vol.19 (11), p.1382-1389

2018

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All-proportional solid solution versus two-phase coexistence in the Ti–V alloy by first-principles phase field and SQS methods

Scientific reports, 2022-06, Vol.12 (1), p.10070-10070, Article 10070

2022

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Chemical Insights from Theoretical Electronic States in Nickel Hydroxide and Monolayer Surface Model

Journal of physical chemistry. C, 2017-11, Vol.121 (44), p.24603-24611

2017

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A simple derivation of the exact quasiparticle theory and its extension to arbitrary initial excited eigenstates

The Journal of chemical physics, 2017-02, Vol.146 (8), p.084108-084108

2017

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Heterojunction of single-walled capped carbon nanotube and zinc phthalocyanine with high energy conversion efficiency

Journal of applied physics, 2014-08, Vol.116 (5)

2014

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Microstructures in Iron-rich FeSi Alloys by First-principles Phase Field and Special Quasirandom Structure Methods

ISIJ International, 2023/03/15, Vol.63(3), pp.553-558

2023

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Cloning of cDNA encoding a newly recognized apolipoprotein-like protein and its expression in the northern sea urchin Mesocentrotus nudus

Fisheries science, 2022-03, Vol.88 (2), p.259-273

2022

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Geometry Dependence of Electronic and Energetic Properties of One-Dimensional Peanut-Shaped Fullerene Polymers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (12), p.3048-3055

2015

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Normalization of exact quasiparticle wave functions in the Green's function method guaranteed by the Ward identity

Physical review. B, 2021-11, Vol.104 (20), Article L201116

2021

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Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators

Advanced functional materials, 2022-05, Vol.32 (20), p.n/a

2022

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Modeling the SDF-1/CXCR4 protein using advanced artificial intelligence and antagonist screening for Japanese anchovy

Frontiers in physiology, 2024, Vol.15, p.1349119-1349119

2024

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relaxin-like peptide purified from radial nerves induces oocyte maturation and ovulation in the starfish, Asterina pectinifera

Proceedings of the National Academy of Sciences - PNAS, 2009-06, Vol.106 (23), p.9507-9512

2009

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Relationship between cap structure and energy gap in capped carbon nanotubes

The Journal of chemical physics, 2016-07, Vol.145 (2), p.024702-024702

2016

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Electron-beam irradiation of photopolymerized C60 film studied using in situ scanning tunneling microscope, in situ Fourier-transform infrared spectroscopy, and first-principles calculations

AIP advances, 2020-08, Vol.10 (8), p.085212-085212-9

2020

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A self-consistent GW approach to the van der Waals potential for a helium dimer

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (35), p.24477-24483

2016

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Combined impact of entropy and carrier delocalization on charge transfer exciton dissociation at the donor-acceptor interface

Physical review. B, 2016-08, Vol.94 (7), Article 075305

2016

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Validity of virial theorem in all-electron mixed basis density functional, Hartree-Fock, and GW calculations

The Journal of chemical physics, 2014-08, Vol.141 (8), p.084108-084108

2014

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Extended quasiparticle approach to non-resonant and resonant X-ray emission spectroscopy

A Monte Carlo simulation of water + oil + ABA block copolymer ternary system. I. Patterns in thermal equilibrium

Momentum-dependent band spin splitting in semiconducting MnO2: a density functional calculation

Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis

A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter

Position Dependent Dielectric Function Near the Cu Surface

Ab initio molecular dynamics simulation study of successive hydrogenation reactions of carbon monoxide producing methanol

Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO3 (M = Cr, Mn, Fe)

Carbon Monoxide Hydrogenation on Ice Surfaces

All-proportional solid solution versus two-phase coexistence in the Ti–V alloy by first-principles phase field and SQS methods

Chemical Insights from Theoretical Electronic States in Nickel Hydroxide and Monolayer Surface Model

A simple derivation of the exact quasiparticle theory and its extension to arbitrary initial excited eigenstates

Heterojunction of single-walled capped carbon nanotube and zinc phthalocyanine with high energy conversion efficiency

Microstructures in Iron-rich FeSi Alloys by First-principles Phase Field and Special Quasirandom Structure Methods

Cloning of cDNA encoding a newly recognized apolipoprotein-like protein and its expression in the northern sea urchin Mesocentrotus nudus

Geometry Dependence of Electronic and Energetic Properties of One-Dimensional Peanut-Shaped Fullerene Polymers

Normalization of exact quasiparticle wave functions in the Green's function method guaranteed by the Ward identity

Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators

Modeling the SDF-1/CXCR4 protein using advanced artificial intelligence and antagonist screening for Japanese anchovy

relaxin-like peptide purified from radial nerves induces oocyte maturation and ovulation in the starfish, Asterina pectinifera

Relationship between cap structure and energy gap in capped carbon nanotubes

Electron-beam irradiation of photopolymerized C60 film studied using in situ scanning tunneling microscope, in situ Fourier-transform infrared spectroscopy, and first-principles calculations

A self-consistent GW approach to the van der Waals potential for a helium dimer

Combined impact of entropy and carrier delocalization on charge transfer exciton dissociation at the donor-acceptor interface

Validity of virial theorem in all-electron mixed basis density functional, Hartree-Fock, and GW calculations

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