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Tetsuya Morishita

National Institute of Advanced Industrial Science and Technology

H指数:30

被引数:3,813

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Molecular origin of pressure-induced re-entrant phase separation of CO2–H2O mixtures

压力诱导的CO2–H2O混合物再进入相分离的分子起源

Communications Chemistry

IF6.2

2026-11-020

OAAI

Theoretical Study of Oxidation Mechanism of SiC on Si-Face ((0001) Surface) Using MnO4–

利用MnO4–对SiC的Si面((0001)表面)氧化机理的理论研究

Journal of Physical Chemistry C

IF3.2

2026-08-130

PRE

Ab Initio Molecular Dynamics Approach for Oxidation of SiC Surface in Contact with Aqueous H2O2 Solutions

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-09-260

PRE

Atomic-Scale Insights into the Phase Behavior of Carbon Dioxide and Water from 313 to 573 K and 8 to 30 MPa

IF4.3

2024-05-032

OAAI

Interfacial tension of carbon dioxide- water under conditions of CO2 geological storage and enhanced geothermal systems: A molecular dynamics study on the effect of temperature

IF7.5

2023-04-0124

OAAI

Correlation between Contact Angle and Water Film Energetics in Carbon Dioxide–Water–Clay Mineral Interfacial Systems: A Molecular Dynamics Study

IF0

2023-01-010

OA

Cooperative Reaction of Hydrogen-Networked Water Molecules at the SiC-H2O2 Solution Interface: Microscopic Insights from Ab Initio Molecular Dynamics

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-07-267

PRE

First-principles study of two-dimensional gallium-nitrides on van der Waals epitaxial substrate

APPLIED PHYSICS LETTERS

IF3.6

2021-11-164

PRE

Relationship between diffraction peak, network topology, and amorphous-forming ability in silicon and silica

SCIENTIFIC REPORTS

IF3.9

2021-11-1217

OAAI

Time-dependent principal component analysis: A unified approach to high-dimensional data reduction using adiabatic dynamics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-10-0617

PRE

Structure and Dynamics of Interfacial Water on Muscovite Surface under Different Temperature Conditions (298 K to 673 K): Molecular Dynamics Investigation

IF3

2021-05-097

OAAI

Frank-Kasper Z16 local structures in Cu-Zr metallic glasses

PHYSICAL REVIEW B

IF3.7

2020-11-304

OAAI

On Hydrogenated Bilayer GaN: New Stable Structures along the c-Plane, m-Plane, or a-Plane

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-07-104

OAAI

An atomistic study of the structural changes in a Zr-Cu-Ni-Al glass-forming liquid on vitrification monitored in-situ by X-ray diffraction and molecular dynamics simulation

用x射线衍射和分子动力学模拟原位监测zr-cu-ni-al玻璃形成液在玻璃化过程中的结构变化的原子研究

IF4.8

2020-07-018

OAAI

Effects of Anion on Liquid Structures of Ionic Liquids at Graphene Electrode Interface Analyzed by Molecular Dynamics Simulations

BATTERIES & SUPERCAPS

IF4.7

2020-03-198

OA

Promoting transparency and reproducibility in enhanced molecular simulations

提高增强分子模拟的透明度和再现性

IF32.1

2019-07-30715

OAAI

Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Tribello, Gareth A.; Banas, Pavel; Barducci, Alessandro; Bernetti, Mattia; Bolhuis, Peter G.; Bottaro, Sandro; Branduardi, Davide; Capelli, Riccardo; Carloni, Paolo; Ceriotti, Michele; Cesari, Andrea; Chen, Haochuan; Chen, Wei; Colizzi, Francesco; De, Sandip; De La Pierre, Marco; Donadio, Davide; Drobot, Viktor; Ensing, Bernd; Ferguson, Andrew L.; Filizola, Marta; Fraser, James S.; Fu, Haohao; Gasparotto, Piero; Gervasio, Francesco Luigi; Giberti, Federico; Gil-Ley, Alejandro; Giorgino, Toni; Heller, Gabriella T.; Hocky, Glen M.; Iannuzzi, Marcella; Invernizzi, Michele; Jelfs, Kim E.; Jussupow, Alexander; Kirilin, Evgeny; Laio, Alessandro; Limongelli, Vittorio; Lindorff-Larsen, Kresten; Lohr, Thomas; Marinelli, Fabrizio; Martin-Samos, Layla; Masetti, Matteo; Meyer, Ralf; Michaelides, Angelos; Molteni, Carla; Morishita, Tetsuya; Nava, Marco; Paissoni, Cristina; Papaleo, Elena; Parrinello, Michele; Pfaendtner, Jim; Piaggi, Pablo; Piccini, GiovanniMaria; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Provasi, Davide; Quigley, David; Raiteri, Paolo; Raniolo, Stefano; Rydzewski, Jakub; Salvalaglio, Matteo; Sosso, Gabriele Cesare; Spiwok, Vojtech; Sponer, Jiri; Swenson, David W. H.; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew

Uncovering New Buckled Structures of Bilayer GaN: A First-Principles Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-12-3110

OAAI

Chemical modification of group IV graphene analogs

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

IF6.9

2018-01-3135

OAAI

Surface Reactions of Ethylene Carbonate and Propylene Carbonate on the Li(001) Surface

ELECTROCHIMICA ACTA

IF5.6

2017-07-0131

PREAI

Free Energy Reconstruction from Logarithmic Mean-Force Dynamics Using Multiple Nonequilibrium Trajectories

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-06-2614

PREAI