A. Suzuki

发表

Development of Three-Dimensional Porous Structure Simulator POCO2 for Simulations of Irregular Porous Materials

M. Koyama, H. Tsuboi, N. Hatakeyama, 2008 .

Ionomer content in the catalyst layer of polymer electrolyte membrane fuel cell (PEMFC): Effects on

Hideyuki Tsuboi, Akira Endou, Akira Miyamoto, 2011 .

Development of Multi-scale, Multi-physics Simulators for TribochemicalApplications

N. Hatakeyama, A. Miyamoto, A. Suzuki, 2013 .

An electrical conductivity prediction simulator based on TB-QCMD and KMC. System development and applications

Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, 2009 .

Assessment of the Performance of Fuel Cells and Batteries

M. Williams, A. Miyamoto, A. Suzuki, 2013 .

Applying ultra-accelerated quantum chemical molecular dynamics technique for the evaluation of ligand protein interactions

M. Koyama, S. Rauf, K. Sahu, 2010, Medicinal Chemistry Research.

Modeling of hydrogen vacancy for dissociative adsorption of H2 on Pd (1 1 1) surface by a quantum chemical molecular dynamics

H. Tsuboi, N. Hatakeyama, A. Endou, 2011 .

Ultra Accelerated Quantum Chemical Molecular Dynamics Study on Ethylene Polymerization Reaction Using CpSiH2NHTiCl2—Constrained Geometry Catalyst

C. Del Carpio, M. Koyama, H. Tsuboi, 2009 .

Exergetic Efficiency Rate of Change and Fuel Cell Degradation

M. Williams, A. Miyamoto, A. Suzuki, 2011 .

A computational chemistry study on friction of h-MoS(2). Part I. Mechanism of single sheet lubrication.

M. Koyama, H. Tsuboi, N. Hatakeyama, 2009, The journal of physical chemistry. B.

A computational chemistry study on friction of h-MoS₂. Part II. Friction anisotropy.

H. Tsuboi, N. Hatakeyama, A. Endou, 2010, The journal of physical chemistry. B.

Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS2 tribofilm

M. Koyama, H. Tsuboi, N. Hatakeyama, 2008 .

Simulation of Electron Diffusion in TiO2 Porous Structures in Dye-Sensitized Solar Cells

M. Koyama, H. Tsuboi, N. Hatakeyama, 2009 .

Theoretical Study on Effect of SiC Crystal Structure on Carrier Transfer in Quantum Dot Solar Cells

H. Tsuboi, N. Hatakeyama, A. Endou, 2011 .

Development of A Seebeck Coefficient Prediction Simulator Using Tight-Binding Quantum Chemical Molecular Dynamics

M. Koyama, H. Tsuboi, N. Hatakeyama, 2008 .

Development of a Multi-Scale Electromigration Simulator Based on a Combination of Ultra Accelerated Quantum Chemical Molecular Dynamics and Kinetic Monte Carlo Methods Application to Cu Interconnects Lifetime Simulation

Hiromi Sato, M. Koyama, H. Tsuboi, 2009 .

Development and Application of a Novel Quantum-Chemical Molecular-Dynamics Method for Degradation Dynamics of Organic Lubricants Under High Temperatures and Pressures

A. Miyamoto, M. Kubo, A. Suzuki, 2003 .

Influence of the Sintering of Electrocatalysts and Decrease of Proton Conductivity on the Current-Voltage Performance in the High-Temperature Proton Exchange Membrane Fuel Cells (HT-PEMFC)

M. Williams, N. Hatakeyama, A. Miyamoto, 2014 .

Development of the overpotential simulator for polymer electrolyte fuel cells and application for optimization of cathode structure

M. Koyama, H. Tsuboi, N. Hatakeyama, 2008 .

Application of the Quantum Chemical Molecular Dynamics Method to Analyze the Sodium-Water Reaction in Multiphase Domain

A. Suzuki, K. Ara, R. Miura, 2020, JAPANESE JOURNAL OF MULTIPHASE FLOW.

Chemical reaction dynamics of PeCB and TCDD decomposition: A tight-binding quantum chemical molecular dynamics study with first-principles parameterization

A. Miyamoto, M. Kubo, A. Suzuki, 2005 .

A graph theoretical approach to the effect of mutation on the flexibility of the DNA binding domain of p53 protein

Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, 2009 .

Interaction grand potential between calcium-silicate-hydrate nanoparticles at the molecular level.

K. V. Van Vliet, N. Hatakeyama, A. Miyamoto, 2016, Nanoscale.

A theoretical investigation on the abrasive wear prevention mechanism of ZDDP and ZP tribofilms

M. Koyama, H. Tsuboi, N. Hatakeyama, 2008 .

Quantum chemistry and QSPR study on relationship between crystal structure and emission wavelength of Eu2+‐doped phosphors

H. Tsuboi, N. Hatakeyama, A. Endou, 2010 .

19.3: Electronic Structure Calculation and QSPR Analysis of Eu2+‐doped Oxide Phosphors: Relationship between Emission Wavelength and Crystal Structure

M. Koyama, H. Tsuboi, N. Hatakeyama, 2009 .

Study of reduction processes over cerium oxide surfaces with atomic hydrogen using ultra accelerated quantum chemical molecular dynamics

H. Tsuboi, N. Hatakeyama, A. Endou, 2010 .

A Theoretical Study on Initial Processes of Li-Ion Transport at the Electrolyte/Cathode Interface: A Quantum Chemical Molecular Dynamics Approach

H. Tsuboi, N. Hatakeyama, A. Endou, 2010 .

Evaluation for sintering of electrocatalysts and its effect on voltage drops in high-temperature proton exchange membrane fuel cells (HT-PEMFC)

Akira Miyamoto, Ai Suzuki, Nozomu Hatakeyama, 2012 .

Multiscale Simulation of Dye-Sensitized Solar Cells Considering Schottky Barrier Effect at Photoelectrode

H. Tsuboi, N. Hatakeyama, A. Endou, 2011 .

Surface reduction processes of cerium oxide surfaces by H2 using ultra accelerated quantum chemical molecular dynamic study

H. Tsuboi, N. Hatakeyama, A. Endou, 2011 .

The effect of R249S carcinogenic and H168R-R249S suppressor mutations on p53-DNA interaction, a multi scale computational study

Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, 2010, Comput. Biol. Medicine.

Temperature Dependence of Nanoconfined Water Properties: Application to Cementitious Materials

H. Manzano, N. Hatakeyama, A. Miyamoto, 2016 .

Effect of the Titanium Nanoparticle on the Quantum Chemical Characterization of the Liquid Sodium Nanofluid.

M. Williams, A. Miyamoto, A. Suzuki, 2016, The journal of physical chemistry. B.

Friction Reduction Mechanism of Hydrogen- and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation

H. Tsuboi, N. Hatakeyama, H. Takaba, 2012 .

Adsorption and dissociation of molecular hydrogen on Pt/CeO2 catalyst in the hydrogen spillover process: A quantum chemical molecular dynamics study

H. Tsuboi, N. Hatakeyama, A. Endou, 2010 .

CO Oxidation and NO Reduction on a MgO(100) Supported Pd Cluster: A Quantum Chemical Molecular Dynamics Study

H. Tsuboi, N. Hatakeyama, H. Takaba, 2011 .

Multi-scale theoretical study of support effect on sintering dynamics of Pt

M. Williams, H. Tsuboi, N. Hatakeyama, 2009 .

Novel Method Based on Quantum Chemistry for Calculation of Ion Induced Secondary Electron Emission Coefficient of MgO Surfaces

M. Koyama, H. Tsuboi, N. Hatakeyama, 2009 .

Identification of amino acid residues in the Ah receptor involved in ligand binding.

Akira Miyamoto, Ai Suzuki, Carlos A Del Carpio, 2007, Biochemical and biophysical research communications.

Host emission from BaMgAl10O17 and SrMgAl10O17 phosphor: Effects of temperature and defect level

M. Koyama, H. Tsuboi, N. Hatakeyama, 2010 .

Graphene-based ordered framework with a diverse range of carbon polygons formed in zeolite nanochannels

T. Kyotani, Hideki Tanaka, N. Hatakeyama, 2018 .

A DFT study on the carbamates formation through the absorption of CO2 by AMP

Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, 2009 .

Multi-scale Theoretical Study of Sintering Dynamics of Pt for Automotive Catalyst

M. Williams, H. Tsuboi, N. Hatakeyama, 2009 .

Dynamics of Hydrogen Spillover on Pt/γ-Al2O3 Catalyst Surface: A Quantum Chemical Molecular Dynamics Study

Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, 2009 .

Computational Chemistry Study on the Microscopic Interactions between Biomolecules and Hydrophilic Polymeric Materials

Kazuki Akamatsu, N. Hatakeyama, H. Takaba, 2013 .

Multiscale, Multiphysics Computational Chemistry Methods Based on Artificial Intelligence Integrated Ultra-Accelerated Quantum Molecular Dynamics for the Application to Automotive Emission Control

M. Hariyama, M. Sato, N. Hatakeyama, 2016 .

Electronic and Atomistic Roles of Cordierite Substrate in Sintering of Washcoated Catalysts for Automotive Exhaust Gas Emissions Control: Multi-scale Computational Chemistry Approach based on Ultra-Accelerated Quantum Chemical Molecular Dynamics Method

H. Tsuboi, N. Hatakeyama, H. Takaba, 2012 .

Study of Carbon Monoxide Oxidation on CeO2(111) Using Ultra Accelerated Quantum Chemical Molecular Dynamics

Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, 2009 .

Development of porous structure simulator for multi-scale simulation of irregular porous catalysts

M. Koyama, H. Tsuboi, N. Hatakeyama, 2008 .

An Elucidation of the Interaction Between Pt Particles and CeO2 Surfaces Using Tight-Binding Quantum Chemistry Method

H. Tsuboi, N. Hatakeyama, A. Endou, 2010 .

A Theoretical Study of Dynamic Behavior of Diphenyldisulphide Molecule on Fe Surface: Novel Ultra-Accelerated Quantum Chemical Molecular Dynamics Approach

M. Koyama, H. Tsuboi, N. Hatakeyama, 2008 .

Development of the reaction time accelerating molecular dynamics method for simulation of chemical reaction

Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, 2008 .

Development of Computational Method for Analysis of Carrier Transfer in Light-Emitting Polymers

M. Williams, H. Tsuboi, N. Hatakeyama, 2010 .

Development of Multiscale Simulator for Dye-Sensitized TiO2 Nanoporous Electrode Based on Quantum Chemical Calculation

M. Koyama, H. Tsuboi, N. Hatakeyama, 2008 .

Computational Study on Carrier Injection in Ca/Poly(9,9'-dioctylfluorene) Interface by Using Quantum Chemistry and Monte Carlo Methods

H. Tsuboi, N. Hatakeyama, A. Endou, 2011 .

Particulate Matter Formation Dynamics as Investigated by Ultra-Accelerated Quantum Chemical Molecular Dynamics Coupled with Canonical Monte Carlo Method

K. Akihama, N. Hatakeyama, A. Miyamoto, 2016 .

Influences of Film Deposition Condition on Friction of Diamond-Like Carbon Film: A Theoretical Investigation

H. Tsuboi, N. Hatakeyama, A. Endou, 2010 .

A Theoretical Investigation on the Dynamic Behavior of Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase

M. Koyama, H. Tsuboi, N. Hatakeyama, 2008 .

Porosity and Pt content in the catalyst layer of PEMFC: effects on diffusion and polarization characteristics

H. Tsuboi, N. Hatakeyama, H. Takaba, 2010, International Journal of Electrochemical Science.

Physical behavior of electrostrictive polymers. Part 1: Polarization forces

T. Takagi, H. Yabu, G. Sebald, 2021 .

Molecular dynamics simulations for microscopic behavior of water molecules in the vicinity of zwitterionic self-assembled monolayers

Kazuki Akamatsu, H. Tsuboi, N. Hatakeyama, 2012 .

Assessment of the Antifouling Properties of Polyzwitterions from Free Energy Calculations by Molecular Dynamics Simulations

Kazuki Akamatsu, H. Tsuboi, N. Hatakeyama, 2012 .

Modeling of Dye-Sensitized Solar Cells Based on TiO2 Electrode Structure Model

H. Tsuboi, N. Hatakeyama, A. Endou, 2010 .

Influence of nanometer scale film structure of ZDDP tribofilm on Its mechanical properties: A computational chemistry study

M. Koyama, H. Tsuboi, N. Hatakeyama, 2009 .

Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives

H. Tsuboi, N. Hatakeyama, A. Endou, 2010 .