Nov. 2023
Young Scientist Award of the Physical Society of Japan

2023
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

May 2021
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

Nov. 2019
Best Poster Presentation Award, the 5th International Conference on Molecular Simulation
NAGAI Tetsuro

Jul. 2018
Journal of Chemical Physics top reviewer 2017
NAGAI Tetsuro

Deterministic Path Search Algorithm on Free-Energy Landscape Using Random Grids
Tetsuro Nagai; Koji Yoshida
Journal of the Physical Society of Japan, 15 Aug. 2024, 93(8), Refereed
Lead

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, Dec. 2023, 391:123197 - 123197, Refereed

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, 07 Nov. 2023, 91(11):117002 - 117002, Refereed

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, 15 May 2023, 158(19):194803, Refereed

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, 09 Aug. 2022, 43(28):1892 - 1900, Refereed

Global diffusion of hydrogen molecules in the heterogeneous structure of polymer electrolytes for fuel cells: Dynamic Monte Carlo combined with molecular dynamics calculations.
Tetsuro Nagai; Susumu Okazaki
The Journal of Chemical Physics, 07 Aug. 2022, 157(5):054502 - 054502, Refereed
Lead

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, 21 Apr. 2022, 156(15):154506 - 154506, Refereed
Lead

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, 28 Jan. 2022, 156(4):044507 - 044507, Refereed
Lead

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, 9:913860 - 913860, Refereed

Momentum removal to obtain the position‐dependent diffusion constant in constrained molecular dynamics simulation
Kazushi Fujimoto; Tetsuro Nagai; Tsuyoshi Yamaguchi
Journal of Computational Chemistry, 15 Nov. 2021, 42(30):2136 - 2144, Refereed
Lead

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, Dec. 2020, 16(12):7239 - 7254, Refereed
Lead

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, May 2019, 150:204702 (15 pages), Refereed

Cryo-Cooling Effect on DHFR Crystal Studied by Replica-Exchange Molecular Dynamics Simulations
Nagai Tetsuro; Tama Florence; Miyashita Osamu
Biophysical Journal, Feb. 2019, 116(3):395 - 405, Refereed
Lead

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, Nov. 2018, 19(11):E3401 (23 pages), Refereed

Gaussian mixture model for coarse-grained modeling from XFEL
Nagai Tetsuro; Mochizuki Yuki; Joti Yasumasa; Tama Florence; Miyashita Osamu
Optics Express, Oct. 2018, 26(20):26734 - 26749, Refereed
Lead

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, Sep. 2017, 147(9):095101 (9 pages), Refereed

General Formalism of Mass Scaling Approach for Replica-Exchange Molecular Dynamics and its Application
Tetsuro Nagai
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, Jan. 2017, 86(1):014003 (9 pages), Refereed
Lead

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, Aug. 2016, 37(21):2017 - 2028, Refereed
Lead

Momentum and velocity scaling rules in replica-exchange molecular dynamics simulations with mass manipulation
Tetsuro Nagai; Takuya Takahashi
JPS Conference Proceedings, 2015, 5:011009 (7 pages), Refereed
Lead

Mass-scaling replica-exchange molecular dynamics optimizes computational resources with simpler algorithm
Tetsuro Nagai; Takuya Takahashi
JOURNAL OF CHEMICAL PHYSICS, Sep. 2014, 141(11):114111 (10 pages), Refereed
Lead

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, Feb. 2013, 2013:P02039 (21 pages), Refereed
Lead

Crossover scaling in the two-dimensional three-state Potts model
T. Nagai; Y. Okamoto; W. Janke
CONDENSED MATTER PHYSICS, 2013, 16(2):23605 (8 pages), Refereed
Lead

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, Nov. 2012, 86(5):056705 (12 pages), Refereed
Lead

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, Feb. 2012, 81(2):024002 (9 pages), Refereed
Lead

Replica-exchange molecular dynamics simulation of a lipid bilayer system with a coarse-grained model
Tetsuro Nagai; Yuko Okamoto
MOLECULAR SIMULATION, 2012, 38(5):437 - 441, Refereed
Lead

Simulated Tempering and Magnetizing Simulations of the Ising Model
Tetsuro Nagai; Yuko Okamoto
Physics Procedia, 2012, 34:100 - 104
Lead

不均一系における物質輸送に関する分子論的研究の展開
永井 哲郎; 岡崎 進
アンサンブル, 31 Jul. 2022, 24(3):160 - 166

東京大学大学院新領域創成科学研究科物質系専攻岡崎グループ
永井 哲郎; 岡崎 進
アンサンブル, 31 Jan. 2022, 24(1):82 - 84

位置に依存した拡散係数の新規評価手法の開発 : 大規模不均一系における物質輸送解明にむけて : 優秀講演賞 受賞寄稿—Development of novel method to evaluate position-dependent diffusion constant : Toward understanding mass transport in large and heterogeneous systems
永井 哲郎
フロンティア : 理論化学会誌 = Frontier : journal of the Japan Society of Theoretical Chemistry, Jan. 2022, 4(1):20 - 23

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

生体分子シミュレーションの最適な条件探索
Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research, Grant-in-Aid for Young Scientists (B)
01 Apr. 2014 - 31 Mar. 2018

科学技術・学術政策研究所（NISTEP）専門調査委員
others
Apr. 2018, Present