Shimamura Kohei

シマムラコウヘイ | Shimamura Kohei

Affiliation and department：
Job title： Assistant Professor

Research field (2)： Bio-, chemical, and soft-matter physics , Mathematical physics and basic theory

Research keywords (4)： Origin of Life , Artificial neural network potential , First-principles molecular dynamics simulation , Molecular dynamics simulation

Research theme for competitive and other funds (5)：

2022 - 2025 多元素不規則系物質に対する機械学習分子動力学法を用いた熱伝導度計算法の開発と応用
2021 - 2025 機能性ナノ構造物質における非断熱・非平衡現象の第一原理的解明
2019 - 2022 Application of Neural Network Driven Molecular Dynamics with First-Principles Accuracy to Origin of Life
2016 - 2019 隕石衝突による生命の起源分子生成過程の第一原理的研究
2015 - 2016 太陽光による非断熱・非平衡反応過程の第一原理的研究

Papers (70)：

Kohei Shimamura, Akihide Koura, Fuyuki Shimojo. Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides. Computer Physics Communications. 2024. 294. 108920
Thomas M. Linker, Ken-ichi Nomura, Shogo Fukushima, Rajiv K. Kalia, Aravind Krishnamoorthy, Aiichiro Nakano, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta. Induction and Ferroelectric Switching of Flux Closure Domains in Strained PbTiO3 with Neural Network Quantum Molecular Dynamics. NANO LETTERS. 2023
Daisuke Wakabayashi, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo. Large-scale Molecular-dynamics Simulations of SiO2 Melt under High Pressure with Robust Machine-learning Interatomic Potentials. Journal of the Physical Society of Japan. 2023
Shogo Fukushima, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo. Efficient Training of the Machine-Learning Interatomic Potential Based on an Artificial Neural Network for Estimating the Helmholtz Free Energy of Alkali Metals. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. 2023. 92. 5
Thomas Linker, Ken-Ichi Nomura, Shogo Fukushima, Rajiv K Kalia, Aravind Krishnamoorthy, Aiichiro Nakano, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta. Squishing Skyrmions: Symmetry-Guided Dynamic Transformation of Polar Topologies Under Compression. The journal of physical chemistry letters. 2022. 13. 48. 11335-11345

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MISC (20)：

圓谷貴夫, 島村孝平, 高良明英, 西本宗矢, 下條冬樹, 河村能人. Ab-initio molecular dynamics study of viscosity and icosahedral cluster formation in a supercooled liquid of LPSO-type Mg-Zn-Y alloys. 軽金属学会大会講演概要. 2023. 144th
圓谷貴夫, 島村孝平, 高良明英, 西本宗矢, 下條冬樹, 河村能人. 第一原理MD計算とGreen-久保公式に基づくMg-Zn-Y合金の過冷却液体状態における粘性と原子ダイナミクスの解明. 日本金属学会講演大会(Web). 2023. 173rd
Aiichiro Nakano, Rajiv Kalia, Ken-ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta. Large spatiotemporal-scale quantum molecular dynamics simulations: A divide-conquerrecombine approach. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2015. 249
ARIFIN Rizal, SHIBUTA Yasushi, SHIMAMURA Kohei, SHIMOJO Fuyuki, YAMAGUCHI Shu. 9pPSA-128 Ab initio Study of Methane Reaction on Nickel (111) Surface. Meeting abstracts of the Physical Society of Japan. 2014. 69. 2. 667-667
Shimamura K., Misawa M., Shimojo F., Nakano Aiichiro, Kalia Rajiv K., Vashiahta Priya. 9pPSA-125 Ab initio molecular dynamics study of reaction mechanism of Monolayer-MoS_2 with water. Meeting abstracts of the Physical Society of Japan. 2014. 69. 2. 667-667

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Lectures and oral presentations (23)：

熱伝導度計算に有効なグラフニューラルネットワーク型機械学習原子間ポテンシャル構築方法の検討
(日本物理学会第78回年次大会 2023)
Molecular Dynamics Simulation with Machine-Learning Interatomic Potential and Its Applications to Computing Free Energy and Thermal Conductivity
(2023)
機械学習原子間ポテンシャルの訓練方法の検討及び分子動力学法への応用
(物性研究所スパコン共同利用・CCMS合同研究会「計算の時代における物性科学」 2023)
熱流束の正則化を用いた機械学習ポテンシャルの訓練法と熱伝導度計算への効果
(日本物理学会2023年春季大会 2023)
Refinement of Training Schemes for Machine-Learning Interatomic Potentials and Its Applications
(APS March Meeting 2023 2023)

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Education (1)：

- 2015 Kumamoto University Graduate School of Science and Technology

Professional career (2)：

修士(理学) (熊本大学)
博士(理学) (熊本大学)

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