Rchr
J-GLOBAL ID：201501003343436993
Update date: Sep. 14, 2023
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 ニューラルネットワークを利用した高速な第一原理分子動力学法の生命起源研究への適用
- 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 (69)：
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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
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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
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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
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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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Masaaki Misawa, Hinata Hokyo, Shogo Fukushima, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo, Rajiv K Kalia, Aiichiro Nakano, Priya Vashishta. Defect-free and crystallinity-preserving ductile deformation in semiconducting Ag2S. Scientific reports. 2022. 12. 1. 19458-19458
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MISC (19)：
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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. 2023
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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
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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
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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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ARIFIN Rizal, SHIBUTA Yasushi, SHIMAMURA Kohei, OGURI T., SHIMOJO Fuyuki, YAMAGUCHI Shu. 28pPSA-75 Mechanism of Methane Decomposition on Nickel (111) Surface : ab initio Molecular Dynamics Simulation. Meeting abstracts of the Physical Society of Japan. 2014. 69. 1. 895-895
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Lectures and oral presentations (22)：
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Molecular Dynamics Simulation with Machine-Learning Interatomic Potential and Its Applications to Computing Free Energy and Thermal Conductivity
(2023)
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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)
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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)
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Refinement of Training Schemes for Machine-Learning Interatomic Potentials and Its Applications
(APS March Meeting 2023 2023)
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熱伝導度計算に有効な人工ニューラルネットワークに基づく 原子間ポテンシャル構築方法の検討IV
(日本物理学会 第77回年次大会(2022年) 2022)
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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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