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Last Updated :2024/04/12
永井 哲郎
理学部
助教
研究活動情報
■ 受賞
- 2023年
溶液化学研究会, 奨励賞
不均一な溶媒中で生じる物質輸送に関する分子シミュレーション研究 - 2021年05月
第23回理論化学討論会 優秀講演賞
第23回理論化学討論会 優秀講演賞 - 2019年11月
Best Poster Presentation Award, the 5th International Conference on Molecular Simulation
永井 哲郎 - 2018年07月
Journal of Chemical Physics top reviewer 2017
永井 哲郎
- In-situ observation of an anion exchange membrane at various humidity by X-ray scattering
Koji Yoshida; Tetsuro Nagai; Koji Ohara; Yuto Shirase; Kenji Miyatake; Junji Inukai
Journal of Molecular Liquids, 2023年12月, 査読有り - An exa-scale high-performance molecular dynamics simulation program: MODYLAS
Yoshimichi Andoh; Shin-ichi Ichikawa; Tatsuya Sakashita; Kazushi Fujimoto; Noriyuki Yoshii; Tetsuro Nagai; Zhiye Tang; Susumu Okazaki
The Journal of Chemical Physics, 2023年05月15日, 査読有り - NaClO4 Ethylene Glycol–water Binary Solution as an Electrolyte for Aqueous Sodium Ion Batteries
Ayuko KITAJOU; Tatsuya MITSUYASU; Tetsuro NAGAI; Koji YOSHIDA; Wataru KOBAYASHI
Electrochemistry, 2023年, 査読有り - Prediction of self‐diffusion coefficients of chemically diverse pure liquids by all‐atom molecular dynamics simulations
Hiromi Baba; Ryo Urano; Tetsuro Nagai; Susumu Okazaki
Journal of Computational Chemistry, 2022年08月09日, 査読有り - Dynamic Monte Carlo calculation generating particle trajectories that satisfy the diffusion equation for heterogeneous systems with a position-dependent diffusion coefficient and free energy.
Tetsuro Nagai; Akira Yoshimori; Susumu Okazaki
The Journal of Chemical Physics, 2022年04月21日, 査読有り
筆頭著者 - Three-dimensional free-energy landscape of hydrogen and oxygen molecules in polymer electrolyte membranes: Insight into diffusion paths
Tetsuro Nagai; Kazushi Fujimoto; Susumu Okazaki
The Journal of Chemical Physics, 2022年01月28日, 査読有り
筆頭著者 - A hybrid approach to study large conformational transitions of biomolecules from single particle XFEL diffraction data.
Han Asi; Bhaskar Dasgupta; Tetsuro Nagai; Osamu Miyashita; Florence Tama
Frontiers in molecular biosciences, 2022年, 査読有り - Momentum removal to obtain the position‐dependent diffusion constant in constrained molecular dynamics simulation
Kazushi Fujimoto; Tetsuro Nagai; Tsuyoshi Yamaguchi
Journal of Computational Chemistry, 2021年11月15日, 査読有り
筆頭著者 - Position-Dependent Diffusion Constant of Molecules in Heterogeneous Systems as Evaluated by the Local Mean Squared Displacement
Tetsuro Nagai; Shuhei Tsurumaki; Ryo Urano; Kazushi Fujimoto; Wataru Shinoda; Susumu Okazaki
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020年12月, 査読有り
筆頭著者 - Exploring the impact of proteins on the line tension of a phase-separating ternary lipid mixture
Bandara Asanga; Panahi Afra; Pantelopulos George A; Nagai Tetsuro; Straub John E
Journal of Chemical Physics, 2019年05月, 査読有り - Cryo-Cooling Effect on DHFR Crystal Studied by Replica-Exchange Molecular Dynamics Simulations
Nagai Tetsuro; Tama Florence; Miyashita Osamu
Biophysical Journal, 2019年02月, 査読有り
筆頭著者 - Role of Computational Methods in Going beyond X-ray Crystallography to Explore Protein Structure and Dynamics
Srivastava Ashutosh; Nagai Tetsuro; Srivastava Arpita; Miyashita Osamu; Tama Florence
International Journal of Molecular Sciences, 2018年11月, 査読有り - Gaussian mixture model for coarse-grained modeling from XFEL
Nagai Tetsuro; Mochizuki Yuki; Joti Yasumasa; Tama Florence; Miyashita Osamu
Optics Express, 2018年10月, 査読有り
筆頭著者 - Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures
George A. Pantelopulos; Tetsuro Nagai; Asanga Bandara; Afra Panahi; John E. Straub
JOURNAL OF CHEMICAL PHYSICS, 2017年09月, 査読有り - General Formalism of Mass Scaling Approach for Replica-Exchange Molecular Dynamics and its Application
Tetsuro Nagai
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2017年01月, 査読有り
筆頭著者 - On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics
Tetsuro Nagai; George A. Pantelopulos; Takuya Takahashi; John E. Straub
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2016年08月, 査読有り
筆頭著者 - Momentum and velocity scaling rules in replica-exchange molecular dynamics simulations with mass manipulation
Tetsuro Nagai; Takuya Takahashi
JPS Conference Proceedings, 2015年, 査読有り
筆頭著者 - Mass-scaling replica-exchange molecular dynamics optimizes computational resources with simpler algorithm
Tetsuro Nagai; Takuya Takahashi
JOURNAL OF CHEMICAL PHYSICS, 2014年09月, 査読有り
筆頭著者 - Application of simulated tempering and magnetizing to a two-dimensional Potts model
Tetsuro Nagai; Yuko Okamoto; Wolfhard Janke
JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT, 2013年02月, 査読有り
筆頭著者 - Crossover scaling in the two-dimensional three-state Potts model
T. Nagai; Y. Okamoto; W. Janke
CONDENSED MATTER PHYSICS, 2013年, 査読有り
筆頭著者 - Simulated tempering and magnetizing: Application of two-dimensional simulated tempering to the two-dimensional Ising model and its crossover
Tetsuro Nagai; Yuko Okamoto
PHYSICAL REVIEW E, 2012年11月, 査読有り
筆頭著者 - Phase Behavior of a Lipid Bilayer System Studied by a Replica-Exchange Molecular Dynamics Simulation
Tetsuro Nagai; Ryuichi Ueoka; Yuko Okamoto
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2012年02月, 査読有り
筆頭著者 - Replica-exchange molecular dynamics simulation of a lipid bilayer system with a coarse-grained model
Tetsuro Nagai; Yuko Okamoto
MOLECULAR SIMULATION, 2012年, 査読有り
筆頭著者 - Simulated Tempering and Magnetizing Simulations of the Ising Model
Tetsuro Nagai; Yuko Okamoto
Physics Procedia, 2012年
筆頭著者
- システム生命科学講究II
近畿大学 - 力学
愛知工業大学 - 先端物理学特論
名古屋大学 - 物性生物物理学特別講義
名古屋大学 - 物理学セミナーIV-1
名古屋大学 - 物理学演習I-1
名古屋大学 - 化学2
立命館大学 - 生命情報学実験2
立命館大学 - 生命情報学実験3
立命館大学 - 生命情報学実験4
立命館大学 - 生命情報学実験5
立命館大学 - 卒業研究1
立命館大学 - 卒業研究2
立命館大学 - 物理化学実験2
立命館大学 - 英語JP2
立命館大学 - Laboratory Work in Physical Chemistry 2
Ritsumeikan University - Graduation Research 2
Ritsumeikan University - Graduation Research 1
Ritsumeikan University - Experiments in Bioinformatics 5
Ritsumeikan University - Experiments in Bioinformatics 4
Ritsumeikan University - Experiments in Bioinformatics 2
Ritsumeikan University - Chemistry 2
Ritsumeikan University