Shimamura Kohei 島村孝平

Researcher Number	60772647
Other IDs
Affiliation (Current)	2025: 熊本大学, 大学院先端科学研究部(理), 准教授
Affiliation (based on the past Project Information) *help	2019 – 2024: 熊本大学, 大学院先端科学研究部(理), 助教 2016 – 2018: 神戸大学, システム情報学研究科, 助教
Review Section/Research Field	Principal Investigator Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related / Basic Section 13040:Biophysics, chemical physics and soft matter physics-related / Biological physics/Chemical physics/Soft matter physics Except Principal Investigator Basic Section 28030:Nanomaterials-related
Keywords	Principal Investigator 機械学習 / 機械学習原子間ポテンシャル / 分子動力学法 / 生命の起源 / 第一原理分子動力学法 / Green-Kubo公式 / 多元素不規則系 / ニューラルネットワーク / 第一原理計算 / 熱伝導度 … More / 力場(経験的原子間ポテンシャル) / 高速化 / 原子間ポテンシャル / 人工ニューラルネットワーク / 機械学習力場（原子間ポテンシャル） / 計算物理 / 生物物理 / 原初地球 / アンモニア生成機構 / 還元的窒素・炭素源分子生成機構 / 隕石の海洋衝突 / 衝撃波シミュレーション / 鉄隕石による還元作用 / 後期重爆撃期 / 還元的炭素・窒素源分子生成 / 隕石の海洋衝突シミュレーション … More Except Principal Investigator 計算物理 / 機械学習 / 分子動力学法 / 第一原理計算 / 非断熱・非平衡現象 / 構造不規則系 Less

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Principal Investigator
- Principal Investigator
  
  島村孝平
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
- Research Institution
  Kumamoto University
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
- Principal Investigator
  
  下條冬樹
- Project Period (FY)
  2021 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 28030:Nanomaterials-related
- Research Institution
  Kumamoto University
Application of Neural Network Driven Molecular Dynamics with First-Principles Accuracy to Origin of LifePrincipal Investigator
- Principal Investigator
  
  Shimamura Kohei
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 13040:Biophysics, chemical physics and soft matter physics-related
- Research Institution
  Kumamoto University
Ab initio molecular dynamics study of meteorite impact-induced production of essential reductive molecules of lifePrincipal Investigator
- Principal Investigator
  
  Shimamura Kohei
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Biological physics/Chemical physics/Soft matter physics
- Research Institution
  Kobe University

All 2024 2023 2022 2021 2020 2019 2018 2017 2016

All Journal Article Presentation

[Journal Article] Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides2024
- Author(s)
  Shimamura Kohei、Koura Akihide、Shimojo Fuyuki
- Journal Title
  
  Computer Physics Communications
  
  Volume: 294 Pages: 11-11
- DOI
  10.1016/j.cpc.2023.108920
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K03454, KAKENHI-PROJECT-23K21069
[Journal Article] Ab Initio Molecular Dynamics of the Initial Growth of Few-Layer Graphene on a Cu-Ni(111) Catalyst2023
- Author(s)
  Yutomo Erik Bhekti、Noor Fatimah Arofiati、Winata Toto、Shimamura Kohei、Koura Akihide、Shimojo Fuyuki
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 127 Issue: 38 Pages: 19258-19268
- DOI
  10.1021/acs.jpcc.3c04687
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Journal Article] Large-scale Molecular-dynamics Simulations of SiO2 Melt under High Pressure with Robust Machine-learning Interatomic Potentials2023
- Author(s)
  Wakabayashi Daisuke、Shimamura Kohei、Koura Akihide、Shimojo Fuyuki
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 92 Issue: 7 Pages: 4-4
- DOI
  10.7566/jpsj.92.074002
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K03454, KAKENHI-PROJECT-20K14584, KAKENHI-PROJECT-23K21069
[Journal Article] Induction and Ferroelectric Switching of Flux Closure Domains in Strained PbTiO<sub>3</sub> with Neural Network Quantum Molecular Dynamics2023
- Author(s)
  Linker Thomas M.、Nomura Ken-ichi、Fukushima Shogo、Kalia Rajiv K.、Krishnamoorthy Aravind、Nakano Aiichiro、Shimamura Kohei、Shimojo Fuyuki、Vashishta Priya
- Journal Title
  
  Nano Letters
  
  Volume: 23 Issue: 16 Pages: 7456-7462
- DOI
  10.1021/acs.nanolett.3c01885
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Journal Article] Efficient Training of the Machine-Learning Interatomic Potential Based on an Artificial Neural Network for Estimating the Helmholtz Free Energy of Alkali Metals2023
- Author(s)
  Fukushima Shogo、Shimamura Kohei、Koura Akihide、Shimojo Fuyuki
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 92 Issue: 5 Pages: 5-5
- DOI
  10.7566/jpsj.92.054005
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K03454, KAKENHI-PROJECT-23K21069
[Journal Article] Defect-free and crystallinity-preserving ductile deformation in semiconducting Ag2S2022
- Author(s)
  Misawa Masaaki、Hokyo Hinata、Fukushima Shogo、Shimamura Kohei、Koura Akihide、Shimojo Fuyuki、Kalia Rajiv K.、Nakano Aiichiro、Vashishta Priya
- Journal Title
  
  Scientific Reports
  
  Volume: 12 Issue: 1 Pages: 19458-19458
- DOI
  10.1038/s41598-022-24004-z
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K03454, KAKENHI-PROJECT-21J10836, KAKENHI-PROJECT-20K14378, KAKENHI-PROJECT-23K21069
[Journal Article] Thermal conductivity calculation based on Green-Kubo formula using ANN potential for β-Ag2Se2022
- Author(s)
  Takeshita Yusuke、Shimamura Kohei、Fukushima Shogo、Koura Akihide、Shimojo Fuyuki
- Journal Title
  
  Journal of Physics and Chemistry of Solids
  
  Volume: 163 Pages: 110580-110580
- DOI
  10.1016/j.jpcs.2022.110580
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K14676, KAKENHI-PROJECT-21J10836
[Journal Article] Importance of Adjusting Coefficients in Cost Function for Construction of High-Accuracy Machine-Learning Interatomic Potential2022
- Author(s)
  Irie Ayu、Shimamura Kohei、Koura Akihide、Shimojo Fuyuki
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 91 Issue: 4 Pages: 045002-045002
- DOI
  10.7566/jpsj.91.045002
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K14676, KAKENHI-PROJECT-23K21069
[Journal Article] Hydrogen Bonding in Liquid Ammonia2022
- Author(s)
  Krishnamoorthy Aravind、Nomura Ken-ichi、Baradwaj Nitish、Shimamura Kohei、Ma Ruru、Fukushima Shogo、Shimojo Fuyuki、Kalia Rajiv K.、Nakano Aiichiro、Vashishta Priya
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 13 Issue: 30 Pages: 7051-7057
- DOI
  10.1021/acs.jpclett.2c01608
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K03454, KAKENHI-PROJECT-21J10836, KAKENHI-PROJECT-23K21069
[Journal Article] Squishing Skyrmions: Symmetry-Guided Dynamic Transformation of Polar Topologies Under Compression2022
- Author(s)
  Linker Thomas、Nomura Ken-ichi、Fukushima Shogo、Kalia Rajiv K.、Krishnamoorthy Aravind、Nakano Aiichiro、Shimamura Kohei、Shimojo Fuyuki、Vashishta Priya
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 13 Issue: 48 Pages: 11335-11345
- DOI
  10.1021/acs.jpclett.2c03029
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K03454, KAKENHI-PROJECT-21J10836, KAKENHI-PROJECT-23K21069
[Journal Article] Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires2022
- Author(s)
  Linker Thomas、Fukushima Shogo、Kalia Rajiv K.、Krishnamoorthy Aravind、Nakano Aiichiro、Nomura Ken-ichi、Shimamura Kohei、Shimojo Fuyuki、Vashishta Priya
- Journal Title
  
  Frontiers in Nanotechnology
  
  Volume: 4 Pages: 884149-884149
- DOI
  10.3389/fnano.2022.884149
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K03454, KAKENHI-PROJECT-21J10836, KAKENHI-PROJECT-23K21069
[Journal Article] Exploring far-from-equilibrium ultrafast polarization control in ferroelectric oxides with excited-state neural network quantum molecular dynamics2022
- Author(s)
  Linker Thomas、Nomura Ken-ichi、Aditya Anikeya、Fukushima Shogo、Kalia Rajiv K.、Krishnamoorthy Aravind、Nakano Aiichiro、Rajak Pankaj、Shimamura Kohei、Shimojo Fuyuki、Vashishta Priya
- Journal Title
  
  Science Advances
  
  Volume: 8 Issue: 12
- DOI
  10.1126/sciadv.abk2625
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K14676, KAKENHI-PROJECT-21J10836, KAKENHI-PROJECT-23K21069
[Journal Article] Molecular Dynamics Simulation of Shock Compression Behavior Based on First-Principles Calculation and Machine-Learning2021
- Author(s)
  三澤賢明，島村孝平，下條冬樹
- Journal Title
  
  The Review of High Pressure Science and Technology
  
  Volume: 31 Issue: 3 Pages: 132-139
- DOI
  10.4131/jshpreview.31.132
- NAID
  130008159019
- ISSN
  0917-639X, 1348-1940
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K14378, KAKENHI-PROJECT-23K21069
[Journal Article] Estimating thermal conductivity of α-Ag2Se using ANN potential with Chebyshev descriptor2021
- Author(s)
  Shimamura Kohei、Takeshita Yusuke、Fukushima Shogo、Koura Akihide、Shimojo Fuyuki
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 778 Pages: 138748-138748
- DOI
  10.1016/j.cplett.2021.138748
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K14676, KAKENHI-PROJECT-21J10836, KAKENHI-PROJECT-23K21069
[Journal Article] Neural Network Quantum Molecular Dynamics, Intermediate Range Order in GeSe2, and Neutron Scattering Experiments2021
- Author(s)
  Rajak Pankaj、Baradwaj Nitish、Nomura Ken-ichi、Krishnamoorthy Aravind、Rino Jose P.、Shimamura Kohei、Fukushima Shogo、Shimojo Fuyuki、Kalia Rajiv、Nakano Aiichiro、Vashishta Priya
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 12 Issue: 25 Pages: 6020-6028
- DOI
  10.1021/acs.jpclett.1c01272
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K14676, KAKENHI-PROJECT-21J10836, KAKENHI-PROJECT-23K21069
[Journal Article] 第一原理計算と機械学習による固体材料における衝撃圧縮特性の分子動力学解析2021
- Author(s)
  三澤賢明，島村孝平，下條冬樹
- Journal Title
  
  日本セラミックス協会協会誌「セラミックス」
  
  Volume: 56 Pages: 674-677
- Data Source
  KAKENHI-PROJECT-23K21069
[Journal Article] Dielectric Constant of Liquid Water Determined with Neural Network Quantum Molecular Dynamics2021
- Author(s)
  Krishnamoorthy Aravind、Nomura Ken-ichi、Baradwaj Nitish、Shimamura Kohei、Rajak Pankaj、Mishra Ankit、Fukushima Shogo、Shimojo Fuyuki、Kalia Rajiv、Nakano Aiichiro、Vashishta Priya
- Journal Title
  
  Physical Review Letters
  
  Volume: 126 Issue: 21 Pages: 216403-216403
- DOI
  10.1103/physrevlett.126.216403
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K14676, KAKENHI-PROJECT-23K21069
[Journal Article] Reproduction of Melting and Crystallization of Sodium by Machine-Learning Interatomic Potential Based on Artificial Neural Networks2021
- Author(s)
  Irie Ayu、Fukushima Shogo、Koura Akihide、Shimamura Kohei、Shimojo Fuyuki
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 90 Issue: 9 Pages: 094603-094603
- DOI
  10.7566/jpsj.90.094603
- NAID
  210000159250
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K14676, KAKENHI-PROJECT-21J10836, KAKENHI-PROJECT-23K21069
[Journal Article] Computational and training requirements for interatomic potential based on artificial neural network for estimating low thermal conductivity of silver chalcogenides2020
- Author(s)
  Kohei Shimamura
- Journal Title
  
  Journal of Chemical Physics
  
  Volume: 153 Issue: 23 Pages: 234301-234301
- DOI
  10.1063/5.0027058
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K14676
[Journal Article] Ab Initio Molecular Dynamics Study of Prebiotic Production Processes of Organic Compounds at Meteorite Impacts on Ocean2019
- Author(s)
  K. Shimamura, F. Shimojo, A. Nakano, and S. Tanaka
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 40 Issue: 2 Pages: 349-359
- DOI
  10.1002/jcc.25606
- NAID
  120006734928
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05478, KAKENHI-PROJECT-16K17782, KAKENHI-PROJECT-18K03825, KAKENHI-PLANNED-17H06353
[Journal Article] Guidelines for Creating Artificial Neural Network Empirical Interatomic Potential from First-Principles Molecular Dynamics Data under Specific Conditions and Its Application to α-Ag2Se2019
- Author(s)
  K. Shimamura, S. Fukushima, A. Koura, F. Shimojo, M. Misawa, R.K. Kalia, A. Nakano, P. Vashishta, T. Matsubara, and S. Tanaka
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 151 Issue: 12 Pages: 124303-124303
- DOI
  10.1063/1.5116420
- NAID
  120006734929
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K03825, KAKENHI-PROJECT-19K14676, KAKENHI-PLANNED-17H06353
[Journal Article] Recent Progress and Current Issues in Development of Artificial Neural Network Interatomic Potential for Molecular Dynamics Simulation2019
- Author(s)
  島村孝平，下條冬樹，田中成典
- Journal Title
  
  The Brain & Neural Networks
  
  Volume: 26 Issue: 4 Pages: 145-155
- DOI
  10.3902/jnns.26.145
- NAID
  130007795111
- ISSN
  1340-766X, 1883-0455
- Year and Date
  2019-12-05
- Language
  Japanese
- Data Source
  KAKENHI-PROJECT-19K14676
[Journal Article] Meteorite impacts on ancient oceans opened up multiple NH3 production pathways2017
- Author(s)
  Kohei Shimamura, Fuyuki Shimojo, Aiichiro Nakano, and Shigenori Tanaka
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 印刷中 Issue: 18 Pages: 11655-11667
- DOI
  10.1039/c7cp00870h
- NAID
  120006318803
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17782, KAKENHI-PROJECT-16K05478, KAKENHI-PLANNED-17H06353
[Journal Article] 最近の研究から「非平衡不規則系における化学反応の理解に向けた第一原理分子動力学手法の開発」2017
- Author(s)
  島村孝平，下條冬樹，中野愛一郎
- Journal Title
  
  分子シミュレーション研究会会誌「アンサンブル」
  
  Volume: 19 Pages: 123-129
- Data Source
  KAKENHI-PROJECT-16K17782
[Journal Article] Meteorite Impact-Induced Rapid NH3 Production on Early Earth: Ab Initio Molecular Dynamics Simulation2016
- Author(s)
  K. Shimamura, F. Shimojo, A. Nakano, S. Tanaka
- Journal Title
  
  Sci. Rep.
  
  Volume: 6 Issue: 1 Pages: 38953-38953
- DOI
  10.1038/srep38953
- NAID
  120005950966
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26460035, KAKENHI-PROJECT-16K05478, KAKENHI-PROJECT-16K17782
[Presentation] 第一原理分子分子動力学法に基づいたGexS1-xガラスの静的構造2024
- Author(s)
  伊藤海，坂口佳史，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Mg-Zn-Y合金の過冷却液体における粘性の温度依存性と原子ダイナミクスの解明 -第一原理分子動力学法と機械学習ポテンシャルを用いた研究-2024
- Author(s)
  圓谷貴夫，島村孝平，高良明英，西本宗矢，下條冬樹，河村能人
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法に基づく液体リンゴ酸の静的構造2024
- Author(s)
  杉本亘，伊藤海，島倉宏典，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] アダマンタン型Sn4S6アモルファス発光材料の静的構造II2024
- Author(s)
  高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 機械学習ポテンシャルを用いたSiO2ガラスの永久高密度化過程の分子動力学シミュレーションII2024
- Author(s)
  佐野汰知，若林大佑，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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II2024
- Author(s)
  島村孝平，Ken-ichi Nomura，高良明英，下條冬樹
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Investigating of Ductility of Silver Sulfide using Artificial Neural Network Potentials2024
- Author(s)
  Hinata Hokyo, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo, Aiichiro Nakano, Rajiv K. Kalia, and Priya Vashishta
- Organizer
  American Physical Society (APS) March Meeting 2024
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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II2024
- Author(s)
  島村孝平, Ken-ichi Nomura, 高良明英, 下條冬樹
- Organizer
  日本物理学会 2024年春季大会
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] 熱力学積分法による炭化ケイ素の閃亜鉛鉱-岩塩構造相転移点の決定II2024
- Author(s)
  井上岳，島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法に基づくアルカリ金属混合系の動的性質の組成依存性2024
- Author(s)
  入江鮎，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Thermodynamics and Phase Behavior of Alkali Mixture Using {\em Ab-initio}-based Machine Learning Interatomic Potentials2023
- Author(s)
  A. Irie, A. Koura, K. Shimamura, and F. Shimojo
- Organizer
  American Physical Society (APS) March Meeting 2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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2023
- Author(s)
  島村孝平
- Organizer
  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」
- Invited
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] Refinement of Training Schemes for Machine-Learning Interatomic Potentials and Its Applications2023
- Author(s)
  Kohei Shimamura
- Organizer
  APS March Meeting 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] 第一原理分子動力学法に基づくグラフェンの水素エッチングの微細機構II2023
- Author(s)
  寿柳龍太郎，島村孝平，高良明英，原正大，松井朋裕，下條冬樹
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 非平衡分子動力学法による銀カルコゲナイドの熱伝導度計算2023
- Author(s)
  藤谷悠貴，島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 機械学習を用いた大規模分子動力学法によるSiO2ガラスの圧力誘起構造変化シミュレーション2023
- Author(s)
  若林大佑，佐野汰知，高良明英，島村孝平，下條冬樹
- Organizer
  第64回高圧討論会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 機械学習ポテンシャルを用いたSiO2ガラスの永久高密度化過程の分子動力学シミュレーション2023
- Author(s)
  佐野汰知，若林大佑，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 機械学習原子間ポテンシャルを用いた銀カルコゲナイドの熱伝導度のスペクトル解析2023
- Author(s)
  橋口祐来，島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 機械学習原子間ポテンシャルを用いた銀カルコゲナイドの熱伝導度のスペクトル解析2023
- Author(s)
  橋口祐来, 島村孝平, 高良明英, 下條冬樹
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] 機械学習ANNポテンシャルによるMgZnY合金の静的構造2023
- Author(s)
  高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] アダマンタン型Sn4S6アモルファス発光材料の静的構造2023
- Author(s)
  高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理MD法と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2023
- Author(s)
  圓谷貴夫，島村孝平，高良明英，西本宗矢，下條冬樹，河村能人
- Organizer
  日本金属学会2023年秋季講演大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Molecular dynamics study of Fe-Light-Element mixtures under high pressure using DFT and neural network interatomic potential2023
- Author(s)
  S. Ohmra, K. Shimamura, and F. Shimojo
- Organizer
  34th IUPAP Conference on Computational Physics (CCP2023)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 機械学習原子間ポテンシャルを用いた硫化銀の延性発現機構の解明2023
- Author(s)
  法橋陽，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 機械学習原子間ポテンシャルを用いた銀カルコゲナイドの熱伝導度のスペクトル解析II2023
- Author(s)
  橋口祐来，島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法に基づく液体乳酸の静的構造2023
- Author(s)
  伊藤海，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法によるMg-Zn-Y合金の溶融および過冷却液体状態における粘性とIcosahedralクラスタ形成機構の解明2023
- Author(s)
  圓谷貴夫，島村孝平，高良明英，西本宗矢，下條冬樹，河村能人
- Organizer
  軽金属学会第144回春期大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Molecular Dynamics Simulation with Machine-Learning Interatomic Potential and Its Applications to Computing Free Energy and Thermal Conductivity2023
- Author(s)
  島村孝平
- Organizer
  日本地球惑星科学連合2023年大会
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] 第一原理分子動力学法に基づくグラフェンの水素エッチングの微細機構2023
- Author(s)
  寿柳龍太郎，島村孝平，高良明英，原正大，松井朋裕，下條冬樹
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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2023
- Author(s)
  島村孝平, Ken-ichi Nomura, 高良明英, 下條冬樹
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] ダイヤモンドの光誘起黒鉛化に関する第一原理的研究2023
- Author(s)
  福島省吾，島村孝平，高良明英，下條冬樹，A. Nakano，R. K. Kalia，P. Vashishta
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Schemes of Training Machine-Learning Interatomic Potential for Application to Molecular Dynamics Simulations with Higher Accuracy2023
- Author(s)
  K. Shimamura, A. Irie, D. Wakabayashi, A. Koura, and F. Shimojo
- Organizer
  34th IUPAP Conference on Computational Physics (CCP2023)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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2023
- Author(s)
  島村孝平，Ken-ichi Nomura，高良明英，下條冬樹
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Molecular Dynamics Simulation with Machine-Learning Interatomic Potential and Its Applications to Computing Free Energy and Thermal Conductivity2023
- Author(s)
  Kohei Shimamura, Ayu Irie, Akihide Koura, and Fuyuki Shimojo
- Organizer
  日本地球惑星科学連合2023年大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法に基づいた液体乳酸のラセミ混合体の静的構造2023
- Author(s)
  伊藤海，島倉宏典，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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2023
- Author(s)
  島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 熱力学積分法による炭化ケイ素の閃亜鉛鉱-岩塩構造相転移点の決定2023
- Author(s)
  井上岳，島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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2023
- Author(s)
  島村孝平,高良明英,下條冬樹
- Organizer
  日本物理学会 2023年春季大会
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] Opto-Electro-Mechanical control of Ferroelectric Topological Structures for Ultralow Power Topotronic Devices using Neural Network Quantum Molecular Dynamics2022
- Author(s)
  T. Linkerr, K. Nomura, S. Fukushima, R. K. Kalia, A. Krishnamoorthy, A. Nakano, K. Shimamura, F. Shimojo, and P. Vashishta
- Organizer
  2022 MRS Spring Meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 非断熱第一原理分子動力学法に基づくダイヤモンドのグラファイト化現象の研究2022
- Author(s)
  福島省吾，島村孝平，高良明英，下條冬樹，A. Nakano，R. K. Kalia，P. Vashishta
- Organizer
  第128回日本物理学会九州支部例会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法に基づく熱力学積分を用いたアルカリ金属混合系の融点の組成依存性V2022
- Author(s)
  入江鮎，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2022年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Optical Manipulation of Ferroelectric Topologies with Multi-Scale Excited State Neural Network Quantum Molecular Dynamics2022
- Author(s)
  T. Linkerr, K. Nomura, S. Fukushima, R. K. Kalia, A. Krishnamoorthy, A. Nakano, K. Shimamura, F. Shimojo, and P. Vashishta
- Organizer
  33rd IUPAP Conference on Computational Physics (CCP2022)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理計算による金属TiO$_2$界面の構造と電子状態の研究2022
- Author(s)
  秋好佑亮，吉次大地，高良明英，島村孝平，原正大，船津麻美，下條冬樹
- Organizer
  日本物理学会第77回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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IV2022
- Author(s)
  島村孝平，竹下雄輔，福島省吾，高良明英，下條冬樹
- Organizer
  日本物理学会第77回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Composition Dependence of Melting Temperature of Rb-Na Alloy Using First-principles-based Thermodynamic Integration2022
- Author(s)
  A. Irie, A. Koura, K. Shimamura, and F. Shimojo
- Organizer
  The 18th International Conference on Liquid and Amorphous Metals (LAM18)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 摂動分子動力学法によるAg2Seの熱伝導度のスペクトル解析2022
- Author(s)
  橋口祐来，島村孝平，高良明英，下條冬樹
- Organizer
  第128回日本物理学会九州支部例会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 機械学習原子間ポテンシャルを用いた銀カルコゲナイドの熱伝導度計算2022
- Author(s)
  島村孝平,高良明英,下條冬樹
- Organizer
  日本物理学会 2022年秋季大会
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] Ab initio simulation for the ductility mechanism of silver chalcogenides2022
- Author(s)
  H. Hokyo, M. Misawa, K. Shimamura, A. Koura, and F. Shimojo
- Organizer
  The 18th International Conference on Liquid and Amorphous Metals (LAM18)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Estimating Thermal Conductivity of Silver Chalcogenides Using Machine-Learning Interatomic Potentials2022
- Author(s)
  K. Shimamura, A. Koura, and F. Shimojo
- Organizer
  The 18th International Conference on Liquid and Amorphous Metals (LAM18)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法によるせん断応力下におけるAg2S(1-x)Sexの構造回復機構IV2022
- Author(s)
  法橋陽，三澤賢明，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2022年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理計算による金属TiO2界面の構造と電子状態の研究II2022
- Author(s)
  秋好佑亮，高良明英，島村孝平，原正大，船津麻美，下條冬樹
- Organizer
  日本物理学会2022年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 機械学習ポテンシャルを用いたAg2S のせん断変形シミュレーション2022
- Author(s)
  法橋陽，高良明英，島村孝平，下條冬樹
- Organizer
  第128回日本物理学会九州支部例会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Estimating Thermal Conductivity of Silver Chalcogenides Using Machine-Learning Interatomic Potentials2022
- Author(s)
  Kohei Shimamura
- Organizer
  LAM18 The 18th International Conference on Liquid and Amorphous Metals
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] Thermal Conductivity Calculation of Silver Chalcogenides: Molecular Dynamics Simulation Using Machine-Learning Interatomic Potentials2022
- Author(s)
  K. Shimamura, A. Koura, and F. Shimojo
- Organizer
  33rd IUPAP Conference on Computational Physics (CCP2022)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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IV2022
- Author(s)
  島村孝平, 竹下雄輔, 福島省吾, 高良明英, 下條冬樹
- Organizer
  日本物理学会第７７回年次大会（2022年）
- Data Source
  KAKENHI-PROJECT-19K14676
[Presentation] 非平衡分布関数の時間発展による知性の記述2022
- Author(s)
  島村孝平
- Organizer
  CBI学会2022年大会
- Invited
- Data Source
  KAKENHI-PROJECT-22K03454
[Presentation] 機械学習原子間ポテンシャルを用いた銀カルコゲナイドの熱伝導度計算2022
- Author(s)
  島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会2022年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法によるせん断応力下におけるAg$_2$S$_{1-x}$Se$_x$の構造回復機構III2022
- Author(s)
  法橋陽，三澤賢明，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会第77回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Photo-induced Phase Transition of Diamond: A Nonadiabatic Quantum Molecular Dynamics Study2022
- Author(s)
  S. Fukushima, R. K. Kalia, T. Linkerr, K. Nomura, A. Nakano, K. Shimamura, F. Shimojo, and P. Vashishta
- Organizer
  2022 MRS Spring Meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Calculation of Helmholtz Free Energy of Alkali Metal Using Interatomic Potentials Based on Artificial Neural Network2022
- Author(s)
  S. Fukushima, K. Shimamura, A. Koura, and F. Shimojo
- Organizer
  The 17th International Student Conference on Advanced Science and Technology（ICAST 2022）
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法に基づく熱力学積分を用いたアルカリ金属混合系の融点の組成依存性IV2022
- Author(s)
  入江鮎，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会第77回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Investigation of phase diagram of Rb-Na alloy by an-initio-based thermodynamic integration2022
- Author(s)
  A. Irie, A. Koura, K. Shimamura, and F. Shimojo
- Organizer
  The 17th International Student Conference on Advanced Science and Technology（ICAST 2022）
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 人工ニューラルネットワーク原子間ポテンシャルを用いた液体Ag$_2$Seの構造III2022
- Author(s)
  高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2022年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Multiscale Neural-Network Quantum Molecular Dynamics and Molecular Mechanics for Polar Topological Structures2022
- Author(s)
  K. Nomura, T. Linkerr, S. Fukushima, R. K. Kalia, A. Krishnamoorthy, A. Nakano, K. Shimamura, F. Shimojo, and P. Vashishta
- Organizer
  2022 MRS Spring Meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Static Structure of Liquid Ag$_2$Se Based on Molecular Dynamics Simulations Using Artificial Neural Network Potential2022
- Author(s)
  A. Koura, K. Shimamura, and F. Shimojo
- Organizer
  The 18th International Conference on Liquid and Amorphous Metals (LAM18)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法に基づくAg2Seの相転移現象に対する分散力補正の影響2022
- Author(s)
  福島省吾，法橋陽，島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会2022年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 人工ニューラルネットワーク原子間ポテンシャルを用いた液体Ag$_2$Seの構造II2022
- Author(s)
  高良明英，竹下雄輔，島村孝平，下條冬樹
- Organizer
  日本物理学会第77回年次大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 人工ニューラルネットワークに基づく銀カルコゲナイドの原子間ポテンシャルの構築と熱伝導度計算への応用III2021
- Author(s)
  竹下雄輔，福島省吾，島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Molecular Dynamics Simulation of Shock-Induced Structural Transformation of Silica Using Artificial Neural Network2021
- Author(s)
  Masaaki Misawa，Kohei Shimamura，Fuyuki Shimojo
- Organizer
  日本地球惑星科学連合2021年大会(JpGU2021)
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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II2021
- Author(s)
  島村孝平, 竹下雄輔, 福島省吾, 高良明英, 下條冬樹
- Organizer
  日本物理学会第７６回年次大会（2021年）
- Data Source
  KAKENHI-PROJECT-19K14676
[Presentation] 人工ニューラルネットワークに基づいた原子間ポテンシャルによるAg2S1-x$Sexの構造の再現2021
- Author(s)
  福島省吾，法橋陽，竹下雄輔，島村孝平，高良明英，下條冬樹，A. Nakano，R. K. Kalia，P. Vashishta
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法に基づく熱力学積分を用いた炭素の融点の圧力依存性II2021
- Author(s)
  稲葉紗也香，福島省吾，島村孝平，高良明英，下條冬樹
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Opto-Electro-Mechanical control of Ferroelectric Topological Structures forUltralow Power Topotronic Devices using Hybrid Neural Network QuantumMolecular Dynamics and Molecular Mechanics Simulations2021
- Author(s)
  T. Linker, K. Nomura, S. Fukushima, R. K. Kalia, A. Krishnamoorthy, A. Nakano, K. Shimamura, F. Shimojo, and P. Vashishta
- Organizer
  American Physical Society (APS) March Meeting 2022
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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III2021
- Author(s)
  島村孝平, 竹下雄輔, 福島省吾, 高良明英, 下條冬樹
- Organizer
  日本物理学会 2021年秋季大会
- Data Source
  KAKENHI-PROJECT-19K14676
[Presentation] Phase transition of Rb-Na alloy based on the first principles molecular dynamics2021
- Author(s)
  A. Irie, A. Koura, K. Shimamura, and F. Shimojo
- Organizer
  The 16th International Student Conference on Advanced Science and Technology（ICAST 2021）
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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III2021
- Author(s)
  島村孝平，竹下雄輔，福島省吾，高良明英，下條冬樹
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Molecular Dynamics Simulation of Shock-Induced Structural Transformation of Silica Using Artificial Neural Network2021
- Author(s)
  三澤賢明、島村孝平、下條冬樹
- Organizer
  日本地球惑星科学連合2021年大会
- Invited
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理計算に基づく薄膜アルミナの比誘電率の膜厚依存性II2021
- Author(s)
  福島省吾，熊添博之，S. Tiwari，島村孝平，高良明英，下條冬樹，A. Nakano，R. K. Kalia，P. Vashishta
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法に基づく熱力学積分を用いたアルカリ金属混合系の融点の組成依存性III2021
- Author(s)
  入江鮎，福島省吾，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 人工ニューラルネットワーク原子間ポテンシャルを用いた液体Ag2Seの構造2021
- Author(s)
  高良明英，竹下雄輔，島村孝平，下條冬樹
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics2021
- Author(s)
  P. Rajak, T. Linker, K. Nomura, A. Aditya, K. Liu, K. Shimamura, S. Fukushima, Y. Luo, F. Shimojo, R. K. Kalia, A. Nakano, and P. Vashishta
- Organizer
  Scalable Deep Learning over Parallel And Distributed Infrastructures (ScaDL 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 衝撃圧縮下におけるシリカの弾性および塑性変形に適用可能な人工ニューラルネットワーク原子間ポテンシャルの構築2021
- Author(s)
  三澤賢明，福島省吾，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学計算に基づく有機分子のチタニアナノシートへの吸着過程2021
- Author(s)
  吉次大地，福島省吾，高良明英，島村孝平，原正大，船津麻美，下條冬樹
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Size-Dependent Melting Temperature of Rubidium: Thermodynamic IntegrationBased on First-principles Calculations2021
- Author(s)
  S. Fukushima, H. Kumazoe, A. Koura, F. Shimojo, K. Shimamura, M. Misawa, R. K. Kalia, A. Nakano, and P. Vashishta
- Organizer
  American Physical Society (APS) March Meeting 2022
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 第一原理分子動力学法によるせん断応力下におけるAg$_2$S$_{1-x}$Se$_x$の構造回復機構II2021
- Author(s)
  法橋陽，福島省吾，三澤賢明，高良明英，島村孝平，下條冬樹
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] Neural network quantum molecular dynamics (NNQMD) for water and covalent glasses2021
- Author(s)
  P. Vashishta, A. Krishnamoorthy, K. Nomura, N. Baradwa, S. Fukushima, R. K. Kalia, A. Mishra, A. Nakano, P. Rajak, J. P. Rino, K. Shimamura, F. Shimojo
- Organizer
  ACS Fall 2021 meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K21069
[Presentation] 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2020
- Author(s)
  島村孝平, 竹下雄輔, 福島省吾, 高良明英, 下條冬樹
- Organizer
  日本物理学会 2020年秋季大会
- Data Source
  KAKENHI-PROJECT-19K14676
[Presentation] 計算機シミュレーションを用いた生命起源研究2020
- Author(s)
  島村孝平
- Organizer
  CBI学会2020オンライン大会 FS-02生命の起源：化学反応と情報
- Invited
- Data Source
  KAKENHI-PROJECT-19K14676
[Presentation] 夾雑系理解のための分子動力学手法の開発とその応用2019
- Author(s)
  島村孝平
- Organizer
  新学術領域「分子夾雑の生命化学」第２回関西地区シンポジウム
- Data Source
  KAKENHI-PROJECT-19K14676
[Presentation] Application of Machine Learning to Molecular Simulation2019
- Author(s)
  Kohei Shimamura
- Organizer
  The 3rd Joint Symposium between Kobe University - University of Southern California
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17782
[Presentation] 生命の起源問題に対する計算科学からの試み2019
- Author(s)
  島村孝平
- Organizer
  研究会「計算生命科学～多体問題から生命システムへ」
- Data Source
  KAKENHI-PROJECT-19K14676
[Presentation] Computational Attempts for Grasping Essences of Life on Earth2018
- Author(s)
  Kohei Shimamura
- Organizer
  The 2nd Joint Symposium between Kobe University - University of Southern California
- Data Source
  KAKENHI-PROJECT-16K17782
[Presentation] Application of ab initio molecular dynamics simulation to investigate the origin of life2017
- Author(s)
  Kohei Shimamura
- Organizer
  International Workshop 'Development of next-generation quantum material research platform' (Next QUMAT2017)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17782
[Presentation] 原初地球の酸化的大気下における還元的生体分子生成過程の第一原理的研究2017
- Author(s)
  島村孝平
- Organizer
  宇宙生命計算科学連携拠点第3回ワークショップ
- Invited
- Data Source
  KAKENHI-PROJECT-16K17782
[Presentation] 原初地球における隕石の海洋衝突に起因したアンモニア生成反応過程の第一原理分子動力学シミュレーション2016
- Author(s)
  島村孝平，下條冬樹，Aiichiro Nakano，田中成典
- Organizer
  第57回高圧討論会
- Place of Presentation
  筑波大学大学会館
- Data Source
  KAKENHI-PROJECT-16K17782
[Presentation] 衝撃波誘起の鉄表面における高速なアンモニア生成2016
- Author(s)
  島村孝平，下條冬樹，Aiichiro Nakano，田中成典
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸ファッションマート
- Data Source
  KAKENHI-PROJECT-16K17782

1. 下條冬樹 (60253027)

# of Collaborated Projects: 1 results

# of Collaborated Products: 77 results
2. 高良明英 (70537092)

# of Collaborated Projects: 1 results

# of Collaborated Products: 64 results
3. 田中成典

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results

Shimamura Kohei 島村 孝平

Research Projects

Research Products

Co-Researchers

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Principal Investigator

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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

Principal Investigator

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Review Section

Research Institution

Application of Neural Network Driven Molecular Dynamics with First-Principles Accuracy to Origin of LifePrincipal Investigator

Principal Investigator

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Review Section

Research Institution

Ab initio molecular dynamics study of meteorite impact-induced production of essential reductive molecules of lifePrincipal Investigator

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Research Institution

[Journal Article] Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides2024

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[Journal Article] Ab Initio Molecular Dynamics of the Initial Growth of Few-Layer Graphene on a Cu-Ni(111) Catalyst2023

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[Journal Article] Large-scale Molecular-dynamics Simulations of SiO2 Melt under High Pressure with Robust Machine-learning Interatomic Potentials2023

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DOI

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[Journal Article] Induction and Ferroelectric Switching of Flux Closure Domains in Strained PbTiO<sub>3</sub> with Neural Network Quantum Molecular Dynamics2023

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DOI

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[Journal Article] Efficient Training of the Machine-Learning Interatomic Potential Based on an Artificial Neural Network for Estimating the Helmholtz Free Energy of Alkali Metals2023

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[Journal Article] Defect-free and crystallinity-preserving ductile deformation in semiconducting Ag2S2022

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[Journal Article] Thermal conductivity calculation based on Green-Kubo formula using ANN potential for β-Ag2Se2022

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[Journal Article] Importance of Adjusting Coefficients in Cost Function for Construction of High-Accuracy Machine-Learning Interatomic Potential2022

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[Journal Article] Hydrogen Bonding in Liquid Ammonia2022

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[Journal Article] Squishing Skyrmions: Symmetry-Guided Dynamic Transformation of Polar Topologies Under Compression2022

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[Journal Article] Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires2022

Author(s)

Shimamura Kohei 島村孝平