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Last Updated :2024/04/12

nagai tetsuro

Faculty of Science
Assistant Lecturer/Assistant professor

Researcher information

■ Degree
  • the Degree of Doctor of Science, Nagoya University
■ Research Keyword
  • computational chemistry
  • simulation
  • biophysics
  • Molecular dynamics
■ Field Of Study
  • Nanotechnology/Materials, Basic physical chemistry
  • Natural sciences, Bio-, chemical, and soft-matter physics
  • Life sciences, Biophysics

Career

■ Career
  • Apr. 2022 - Present
    Fukuoka University, 理学部化学科, 助教
  • Apr. 2020 - Mar. 2022
    The University of Tokyo, Graduate School of Frontier Sciences, 特任助教
  • Apr. 2019 - Mar. 2020
    Nagoya University, Graduate School of Engineering Materials Chemistry, Designated assistant professor
  • Jan. 2016 - Mar. 2019
    Nagoya University, Graduate School of Science Division of Material Science, Assistant Professor
  • Apr. 2013 - Dec. 2015
    Ritsumeikan University, College of Llife Science, 助教
  • Oct. 2012 - Mar. 2013
    Aichi Institute of Technology, 非常勤講師
■ Educational Background
  • Mar. 2013
    Nagoya University, Graduate School of Science, Division of Material Science
■ Member History
  • Apr. 2023 - Mar. 2024
    領域12領域運営委員(化学物理), 日本物理学会

Research activity information

■ Award
  • 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
■ Paper
  • 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, 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, 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, 2023, 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, Refereed
  • 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, 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, 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, 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, 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, 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, Refereed
  • Cryo-Cooling Effect on DHFR Crystal Studied by Replica-Exchange Molecular Dynamics Simulations
    Nagai Tetsuro; Tama Florence; Miyashita Osamu
    Biophysical Journal, Feb. 2019, 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, Refereed
  • Gaussian mixture model for coarse-grained modeling from XFEL
    Nagai Tetsuro; Mochizuki Yuki; Joti Yasumasa; Tama Florence; Miyashita Osamu
    Optics Express, Oct. 2018, 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, 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, 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, Refereed
    Lead
  • Momentum and velocity scaling rules in replica-exchange molecular dynamics simulations with mass manipulation
    Tetsuro Nagai; Takuya Takahashi
    JPS Conference Proceedings, 2015, Refereed
    Lead
  • Mass-scaling replica-exchange molecular dynamics optimizes computational resources with simpler algorithm
    Tetsuro Nagai; Takuya Takahashi
    JOURNAL OF CHEMICAL PHYSICS, Sep. 2014, 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, Refereed
    Lead
  • Crossover scaling in the two-dimensional three-state Potts model
    T. Nagai; Y. Okamoto; W. Janke
    CONDENSED MATTER PHYSICS, 2013, 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, 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, Refereed
    Lead
  • Replica-exchange molecular dynamics simulation of a lipid bilayer system with a coarse-grained model
    Tetsuro Nagai; Yuko Okamoto
    MOLECULAR SIMULATION, 2012, Refereed
    Lead
  • Simulated Tempering and Magnetizing Simulations of the Ising Model
    Tetsuro Nagai; Yuko Okamoto
    Physics Procedia, 2012
    Lead
■ Courses
  • 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
■ Social Contribution Activities
  • 科学技術・学術政策研究所(NISTEP)専門調査委員
    others
    Apr. 2018, Present