Details of the Researcher

PHOTO

Shogo Fukushima
Section
Institute for Materials Research
Job title
Assistant Professor
Degree

  • 博士（理学）（熊本大学）

  • 修士（理学）（熊本大学）

Research History 3

  • 2023/04 - Present
    東北大学 金属材料研究所 助教

  • 2021/04 - 2023/03
    熊本大学 自然科学教育部 日本学術振興会特別研究員（DC2）

  • 2021/08 - 2022/07
    南カリフォルニア大学 CACS研究所 客員研究員

Education 4

  • 熊本大学 大学院自然科学教育部 理学専攻 博士後期課程

    2020/04 - 2023/03

  • 熊本大学 大学院自然科学教育部 理学専攻 博士前期課程

    2018/04 - 2020/03

  • 熊本大学 理学部 理学科

    2014/04 - 2018/03

  • 宮崎県立宮崎南高等学校

    2011/04 - 2014/03

Committee Memberships 1

  • 日本トライボロジー学会　トライボロジー会議秋2025函館実行委員会

    2024/06 - Present

Professional Memberships 2

  • The Japan Institute of Metals and Materials

    2024/09 - Present

  • The Physical Society of Japan

    2017/12 - Present

Research Interests 5

  • 物性物理学

  • 機械学習ポテンシャル

  • 第一原理電子状態計算

  • 分子動力学シミュレーション

  • 計算物理学

Research Areas 3

  • Nanotechnology/Materials / Metallic materials /

  • Nanotechnology/Materials / Nanostructure physics /

  • Natural sciences / Mathematical physics and basic theory /

Awards 7

  1. 学長表彰（学業成績優秀者）

    2023/03　熊本大学

  2. The Best Presentation Award

    2022/12　The 17th International Student Conference on Advanced Science and Technology　Calculation of Helmholtz Free Energy of Alkali Metal Using Interatomic Potentials Based on Artificial Neural Network

  3. 学生優秀発表賞

    2021/03　日本物理学会 第76回年次大会　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によるアルカリ金属の熱力学量の計算

  4. 学生優秀発表賞

    2020/03　日本物理学会 第75回年次大会　第一原理計算に基づく熱力学積分を用いたルビジウムの融点のサイズ依存性

  5. 学長表彰（学業成績優秀者）

    2020/03　熊本大学

  6. The Best Presentation Award

    2019/11　The 14th International Student Conference on Advanced Science and Technology　Molecular-Dynamics Study of Thermal Conductivity by Neural Network Potential Constructed from First-Principles

  7. 学長表彰（学業成績優秀者）

    2018/03　熊本大学

Show all ︎Show 5

Papers 34

  1. Continuous formation and removal mechanism of tribolayer on silicon carbide under water lubricated conditions: A ReaxFF reactive molecular dynamics study Peer-reviewed

    Masayuki Kawaura, Yusuke Ootani, Shogo Fukushima, Yixin Su, Nobuki Ozawa, Koshi Adachi, Momoji Kubo

    Tribology International　206　110579-110579　2025/06

    Publisher: Elsevier BV

    DOI： 10.1016/j.triboint.2025.110579 　

    ISSN： 0301-679X

  2. Thermoelectric Grain Boundary in Monolayer MoS2

    Ayu Irie, Anikeya Aditya, Ken-ichi Nomura, Shogo Fukushima, Shinnosuke Hattori, Rajiv K. Kalia, Aiichiro Nakano, Vadim Rodin, Fuyuki Shimojo, Shigetaka Tomiya, Priya Vashishta

    The Journal of Physical Chemistry C　128　(38)　16172-16178　2024/09/18

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpcc.4c04339 　

    ISSN： 1932-7447

    eISSN： 1932-7455

  3. Neural network molecular dynamics simulation on friction-induced chemical reactions of Si3N4 in water and ethylene glycol environments Peer-reviewed

    Ryutaro Kudo, Yusuke Ootani, Shogo Fukushima, Nobuki Ozawa, Momoji Kubo

    Chemistry Letters　53　(7)　2024/07/02

    Publisher: Oxford University Press (OUP)

    DOI： 10.1093/chemle/upae114 　

    ISSN： 0366-7022

    eISSN： 1348-0715

    More details Close

    Abstract Silicon nitride (Si3N4) exhibits low friction in aqueous environments due to a tribolayer that is formed through tribochemical reactions. However, the low friction state is not maintained in high contact pressure conditions, where surface-surface contact is dominant at the sliding interface, i.e. the load carrying capacity is low. Recently, it was reported that an ethylene glycol (EG) additive improves the load carrying capacity of Si3N4 in aqueous environments, though their mechanism is still in debate. In this study, we performed friction simulations to analyze the tribochemical reactions of water and an EG additive using a neural network molecular dynamics method which enables large-scale simulation with high accuracy comparable with ab initio molecular dynamics calculations. We found that tribochemical reactions of water produce SiO2 particles. On the other hand, tribochemical reactions of EG produce compounds which consist of carbon, nitrogen, and hydrogen atoms on the Si3N4 surface and the Si3N4 surface is covered by the compounds. Based on this finding, we propose that the compounds covering the Si3N4 surface can improve its load carrying capacity.

  4. High-throughput computation and machine learning of refractive index of polymers Peer-reviewed

    Ankit Mishra, Pankaj Rajak, Ayu Irie, Shogo Fukushima, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Fuyuki Shimojo, Priya Vashishta

    Applied Physics Letters　123　(12)　2023/09/18

    Publisher: AIP Publishing

    DOI： 10.1063/5.0161198 　

    ISSN： 0003-6951

    eISSN： 1077-3118

    More details Close

    Refractive index (RI) of polymers plays a crucial role in the design of optoelectronic devices, including displays and image sensors. We have developed a framework for (1) high-throughput computation of RI values for computationally synthesized amorphous polymer structures based on a generalized polarizable reactive force-field (ReaxPQ+) model, which is orders-of-magnitude faster than quantum-mechanical methods; (2) prediction of composition–structure–RI relationships based on a machine-learning model based on graph attention neural network; and (3) computation of frequency-dependent RI combining ReaxPQ+ and Lorentz-oscillator models. The framework has been tested on a computational database of amorphous polymers.

  5. Computational framework for polymer synthesis to study dielectric properties using polarizable reactive molecular dynamics Peer-reviewed

    Ankit Mishra, Lihua Chen, ZongZe Li, Ken-ichi Nomura, Aravind Krishnamoorthy, Shogo Fukushima, Subodh C. Tiwari, Rajiv K. Kalia, Aiichiro Nakano, Rampi Ramprasad, Greg Sotzing, Yang Cao, Priya Vashishta

    COMPUTATIONAL MATERIALS SCIENCE　228　2023/09

    DOI： 10.1016/j.commatsci.2023.112340 　

    ISSN： 0927-0256

    eISSN： 1879-0801

  6. Induction and Ferroelectric Switching of Flux Closure Domains in Strained PbTiO3 with Neural Network Quantum Molecular Dynamics Peer-reviewed

    Thomas M. Linker, Ken-ichi Nomura, Shogo Fukushima, Rajiv K. Kalia, Aravind Krishnamoorthy, Aiichiro Nakano, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta

    NANO LETTERS　2023/08

    DOI： 10.1021/acs.nanolett.3c01885 　

    ISSN： 1530-6984

    eISSN： 1530-6992

  7. Efficient Training of the Machine-Learning Interatomic Potential Based on an Artificial Neural Network for Estimating the Helmholtz Free Energy of Alkali Metals Peer-reviewed

    Shogo Fukushima, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo

    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　92　(5)　2023/05

    DOI： 10.7566/JPSJ.92.054005 　

    ISSN： 0031-9015

  8. Squishing Skyrmions: Symmetry-Guided Dynamic Transformation of Polar Topologies Under Compression Peer-reviewed

    Thomas Linker, Ken-ichi Nomura, Shogo Fukushima, Rajiv K. Kalia, Aravind Krishnamoorthy, Aiichiro Nakano, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS　13　(48)　11335-11345　2022/12

    DOI： 10.1021/acs.jpclett.2c03029 　

    ISSN： 1948-7185

  9. Defect-free and crystallinity-preserving ductile deformation in semiconducting Ag2S Peer-reviewed

    Masaaki Misawa, Hinata Hokyo, Shogo Fukushima, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

    SCIENTIFIC REPORTS　12　(1)　2022/11

    DOI： 10.1038/s41598-022-24004-z 　

    ISSN： 2045-2322

  10. Photoexcitation-Induced Nonthermal Ultrafast Loss of Long-Range Order in GeTe Peer-reviewed

    Liqiu Yang, Subodh C. Tiwari, Shogo Fukushima, Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Paulo S. Branicio

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS　13　(43)　10230-10236　2022/11

    DOI： 10.1021/acs.jpclett.2c02448 　

    ISSN： 1948-7185

  11. Thickness dependence of dielectric constant of alumina films based on first-principles calculations Peer-reviewed

    Shogo Fukushima, Rajiv K. Kalia, Aiichiro Nakano, Fuyuki Shimojo, Priya Vashishta

    APPLIED PHYSICS LETTERS　121　(6)　2022/08

    DOI： 10.1063/5.0106721 　

    ISSN： 0003-6951

    eISSN： 1077-3118

  12. Hydrogen Bonding in Liquid Ammonia Peer-reviewed

    Aravind Krishnamoorthy, Ken-ichi Nomura, Nitish Baradwaj, Kohei Shimamura, Ruru Ma, Shogo Fukushima, Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS　13　(30)　7051-7057　2022/08

    DOI： 10.1021/acs.jpclett.2c01608 　

    ISSN： 1948-7185

  13. Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires Peer-reviewed

    Thomas Linker, Shogo Fukushima, Rajiv K. Kalia, Aravind Krishnamoorthy, Aiichiro Nakano, Ken-ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta

    FRONTIERS IN NANOTECHNOLOGY　4　2022/08

    DOI： 10.3389/fnano.2022.884149 　

    eISSN： 2673-3013

  14. Thermal conductivity calculation based on Green-Kubo formula using ANN potential for beta-Ag2Se Peer-reviewed

    Yusuke Takeshita, Kohei Shimamura, Shogo Fukushima, Akihide Koura, Fuyuki Shimojo

    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS　163　2022/04

    DOI： 10.1016/j.jpcs.2022.110580 　

    ISSN： 0022-3697

    eISSN： 1879-2553

  15. Exploring far-from-equilibrium ultrafast polarization control in ferroelectric oxides with excited-state neural network quantum molecular dynamics Peer-reviewed

    Thomas Linker, Ken-ichi Nomura, Anikeya Aditya, Shogo Fukshima, Rajiv K. Kalia, Aravind Krishnamoorthy, Aiichiro Nakano, Pankaj Rajak, Kohei Shimmura, Fuyuki Shimojo, Priya Vashishta

    Science Advances　8　(12)　2022/03/25

    Publisher: American Association for the Advancement of Science (AAAS)

    DOI： 10.1126/sciadv.abk2625 　

    eISSN： 2375-2548

    More details Close

    Ferroelectric materials exhibit a rich range of complex polar topologies, but their study under far-from-equilibrium optical excitation has been largely unexplored because of the difficulty in modeling the multiple spatiotemporal scales involved quantum-mechanically. To study optical excitation at spatiotemporal scales where these topologies emerge, we have performed multiscale excited-state neural network quantum molecular dynamics simulations that integrate quantum-mechanical description of electronic excitation and billion-atom machine learning molecular dynamics to describe ultrafast polarization control in an archetypal ferroelectric oxide, lead titanate. Far-from-equilibrium quantum simulations reveal a marked photo-induced change in the electronic energy landscape and resulting cross-over from ferroelectric to octahedral tilting topological dynamics within picoseconds. The coupling and frustration of these dynamics, in turn, create topological defects in the form of polar strings. The demonstrated nexus of multiscale quantum simulation and machine learning will boost not only the emerging field of ferroelectric topotronics but also broader optoelectronic applications.

  16. Reproduction of Melting and Crystallization of Sodium by Machine-Learning Interatomic Potential Based on Artificial Neural Networks Peer-reviewed

    Ayu Irie, Shogo Fukushima, Akihide Koura, Kohei Shimamura, Fuyuki Shimojo

    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　90　(9)　2021/09

    DOI： 10.7566/JPSJ.90.094603 　

    ISSN： 0031-9015

  17. Estimating thermal conductivity of alpha-Ag2Se using ANN potential with Chebyshev descriptor Peer-reviewed

    Kohei Shimamura, Yusuke Takeshita, Shogo Fukushima, Akihide Koura, Fuyuki Shimojo

    CHEMICAL PHYSICS LETTERS　778　2021/09

    DOI： 10.1016/j.cplett.2021.138748 　

    ISSN： 0009-2614

    eISSN： 1873-4448

  18. Neural Network Quantum Molecular Dynamics, Intermediate Range Order in GeSe2, and Neutron Scattering Experiments Peer-reviewed

    Pankaj Rajak, Nitish Baradwaj, Ken-ichi Nomura, Aravind Krishnamoorthy, Jose P. Rino, Kohei Shimamura, Shogo Fukushima, Fuyuki Shimojo, Rajiv Kalia, Aiichiro Nakano, Priya Vashishta

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS　12　(25)　6020-6028　2021/07

    DOI： 10.1021/acs.jpclett.1c01272 　

    ISSN： 1948-7185

  19. Dielectric Constant of Liquid Water Determined with Neural Network Quantum Molecular Dynamics Peer-reviewed

    Aravind Krishnamoorthy, Ken-ichi Nomura, Nitish Baradwaj, Kohei Shimamura, Pankaj Rajak, Ankit Mishra, Shogo Fukushima, Fuyuki Shimojo, Rajiv Kalia, Aiichiro Nakano, Priya Vashishta

    PHYSICAL REVIEW LETTERS　126　(21)　2021/05

    DOI： 10.1103/PhysRevLett.126.216403 　

    ISSN： 0031-9007

    eISSN： 1079-7114

  20. Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics Peer-reviewed

    Pankaj Rajak, Anikeya Aditya, Shogo Fukushima, Rajiv K. Kalia, Thomas Linker, Kuang Liu, Ye Luo, Aiichiro Nakano, Ken-ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta

    2021 IEEE INTERNATIONAL PARALLEL AND DISTRIBUTED PROCESSING SYMPOSIUM WORKSHOPS (IPDPSW)　943-946　2021

    DOI： 10.1109/IPDPSW52791.2021.00145 　

  21. Computational and training requirements for interatomic potential based on artificial neural network for estimating low thermal conductivity of silver chalcogenides Peer-reviewed

    Kohei Shimamura, Yusuke Takeshita, Shogo Fukushima, Akihide Koura, Fuyuki Shimojo

    JOURNAL OF CHEMICAL PHYSICS　153　(23)　2020/12

    DOI： 10.1063/5.0027058 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  22. Molecular Dynamics Study of Thermal Conductivity of Silver Chalcogenides Peer-reviewed

    Shogo Fukushima, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo

    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS　257　(11)　2020/11

    DOI： 10.1002/pssb.202000183 　

    ISSN： 0370-1972

    eISSN： 1521-3951

  23. Optically Induced Three-Stage Picosecond Amorphization in Low-Temperature SrTiO3 Peer-reviewed

    Thomas Linker, Subodh Tiwari, Shogo Fukushima, Rajiv K. Kalia, Aravind Krishnamoorthy, Aiichiro Nakano, Ken-ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS　11　(22)　9605-9612　2020/11

    DOI： 10.1021/acs.jpclett.0c02873 　

    ISSN： 1948-7185

  24. Enhancing combustion performance of nano-Al/PVDF composites with β-PVDF Peer-reviewed

    Sidi Huang, Sungwook Hong, Yingchun Su, Yue Jiang, Shogo Fukushima, Thomas Mark Gill, Nil Ezgi Dincer Yilmaz, Subodh Tiwari, Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Fuyuki Shimojo, Priya Vashishta, Menglin Chen, Xiaolin Zheng

    Combustion and Flame　219　467-477　2020/09

    Publisher: Elsevier BV

    DOI： 10.1016/j.combustflame.2020.06.011 　

    ISSN： 0010-2180

  25. Application of First-Principles-Based Artificial Neural Network Potentials to Multiscale-Shock Dynamics Simulations on Solid Materials Peer-reviewed

    Masaaki Misawa, Shogo Fukushima, Akihide Koura, Kohei Shimamura, Fuyuki Shimojo, Subodh Tiwari, Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS　11　(11)　4536-4541　2020/06

    DOI： 10.1021/acs.jpclett.0c00637 　

    ISSN： 1948-7185

  26. Towards simulation of the dynamics of materials on quantum computers Peer-reviewed

    Lindsay Bassman, Kuang Liu, Aravind Krishnamoorthy, Thomas Linker, Yifan Geng, Daniel Shebib, Shogo Fukushima, Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

    PHYSICAL REVIEW B　101　(18)　2020/05

    DOI： 10.1103/PhysRevB.101.184305 　

    ISSN： 2469-9950

    eISSN： 2469-9969

  27. Field-Induced Carrier Localization Transition in Dielectric Polymers Peer-reviewed

    Thomas M. Linker, Subodh Tiwari, Hiroyuki Kumazoe, Shogo Fukushima, Rajiv K. Kalia, Aiichiro Nakano, Rampi Ramprasad, Fuyuki Shimojo, Priya Vashishta

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS　11　(2)　352-358　2020/01

    DOI： 10.1021/acs.jpclett.9b03147 　

    ISSN： 1948-7185

  28. Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials Peer-reviewed

    Subodh C. Tiwari, Aravind Krishnamoorthy, Pankaj Rajak, Putt Sakdhnagool, Manaschai Kunaseth, Fuyuki Shimojo, Shogo Fukushima, Aiichiro Nakano, Ye Luo, Rajiv K. Kalia, Ken-ichi Nomura, Priya Vashishta

    PROCEEDINGS OF INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING IN ASIA-PACIFIC REGION (HPC ASIA 2020)　1-10　2020

    DOI： 10.1145/3368474.3368489 　

  29. Thermodynamic integration by neural network potentials based on first-principles dynamic calculations Peer-reviewed

    Shogo Fukushima, Eisaku Ushijima, Hiroyuki Kumazoe, Akihide Koura, Fuyuki Shimojo, Kohei Shimamura, Masaaki Misawa, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

    PHYSICAL REVIEW B　100　(21)　2019/12

    DOI： 10.1103/PhysRevB.100.214108 　

    ISSN： 2469-9950

    eISSN： 2469-9969

  30. GGA plus U Molecular Dynamics Study of Structural and Dynamic Properties of Superionic Conductor Ag2Se Peer-reviewed

    Shogo Fukushima, Masaaki Misawa, Akihide Koura, Fuyuki Shimojo

    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　88　(11)　2019/11

    DOI： 10.7566/JPSJ.88.115002 　

    ISSN： 0031-9015

  31. Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to alpha-Ag2Se Peer-reviewed

    Kohei Shimamura, Shogo Fukushima, Akihide Koura, Fuyuki Shimojo, Masaaki Misawa, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Takashi Matsubara, Shigenori Tanaka

    JOURNAL OF CHEMICAL PHYSICS　151　(12)　2019/09

    DOI： 10.1063/1.5116420 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  32. Hot-Carrier Dynamics and Chemistry in Dielectric Polymers Peer-reviewed

    Hiroyuki Kumazoe, Shogo Fukushima, Subodh Tiwari, Chiho Kim, Tran Doan Huan, Rajiv K. Kalia, Aiichiro Nakano, Rampi Ramprasad, Fuyuki Shimojo, Priya Vashishta

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS　10　(14)　3937-3943　2019/07

    DOI： 10.1021/acs.jpclett.9b01344 　

    ISSN： 1948-7185

  33. QXMD: An open-source program for nonadiabatic quantum molecular dynamics Peer-reviewed

    Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa, Satoshi Ohmura, Pankaj Rajak, Kohei Shimamura, Lindsay Bassman Oftelie, Subodh Tiwari, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta

    SOFTWAREX　10　2019/07

    DOI： 10.1016/j.softx.2019.100307 　

    ISSN： 2352-7110

  34. Effects of chemical defects on anisotropic dielectric response of polyethylene Peer-reviewed

    Shogo Fukushima, Subodh Tiwari, Hiroyuki Kumazoe, Rajiv K. Kalia, Aiichiro Nakano, Fuyuki Shimojo, Priya Vashishta

    AIP ADVANCES　9　(4)　2019/04

    DOI： 10.1063/1.5093566 　

    eISSN： 2158-3226

Show all ︎Show first 5

Books and Other Publications 1

  1. 高分子材料の絶縁破壊・劣化メカニズムとその対策

    熊添博之, 福島省吾, 下條冬樹

    技術情報協会　2021/01

    ISBN: 9784861048210

Presentations 24

  1. 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によるアルカリ金属の熱力学量の計算 International-coauthorship

    福島省吾, 島村孝平, 高良明英, 下條冬樹, A. Nakano, Rajiv K. Kalia, P. Vashishta

    日本物理学会 第76回年次大会　2021/03

  2. 第一原理計算に基づく熱力学積分を用いたルビジウムの融点のサイズ依存性 International-coauthorship

    福島省吾, 牛島栄作, 熊添博之, 三澤賢明, 島村孝平, 高良明英, 下條冬樹, A. Nakano, R. K. Kalia, P. Vashishta

    日本物理学会 第75回年次大会　2020/03

  3. Construction of Machine Learning Potential for CrMnFeCoNiAlx High-EntropyAlloys and Tensile Simulation based on Molecular Dynamics Method

    Shogo Fukushima, Kai Nakajima, Yusuke Ootani, Nobuki Ozawa, Momoji Kubo

    The Japan Institute of Metals and Materials, 2024 Fall Meeting　2024/09/19

  4. 機械学習分子動力学法に基づいたハイエントロピー合金における応力腐食割れに対するAl添加の影響

    福島 省吾, 中島 快, 工藤 龍太郎, 大谷 優介, 尾澤 伸樹, 久保 百司

    日本コンピュータ化学会 2024年春季大会　2024/06/07

  5. Molecular Dynamics Simulation on Stress Corrosion Cracking of High Entropy Alloys in Water Environment International-presentation

    Shogo Fukushima, Ryutaro Kudo, Chang Liu, Yuta Asano, Yusuke Ootani, Nobuki Ozawa, Momoji Kubo

    The Workshop on Innovative Nanoscale Devices and Systems　2023/12

  6. CrMnFeCoNi系ハイエントロピー合金の機械特性に対するAl添加の影響：機械学習分子動力学シミュレーション解析

    福島省吾, 中島快, 工藤龍太郎, 浅野優太, 大谷優介, 尾澤伸樹, 久保百司

    日本コンピュータ化学会2023年秋季大会　2023/11

  7. ダイヤモンドの光誘起黒鉛化に関する第一原理的研究 International-coauthorship

    福島省吾, 島村孝平, 高良明英, 下條冬樹, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta

    日本物理学会 第78回年次大会　2023/09

  8. 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 International-coauthorship

    福島省吾, 島村孝平, 高良明英, 下條冬樹, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta

    第128回 日本物理学会 九州支部例会　2022/12

  9. Calculation of Helmholtz Free Energy of Alkali Metal Using Interatomic Potentials Based on Artificial Neural Network International-presentation

    Shogo Fukushima, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo

    The 17th International Student Conference on Advanced Science and Technology　2022/12

  10. 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

    福島省吾, 法橋陽, 島村孝平, 高良明英, 下條冬樹

    日本物理学会 2022年秋季大会　2022/09

  11. Photo-Induced Phase Transition of Diamond—A Nonadiabatic Quantum Molecular Dynamics Study International-presentation International-coauthorship

    Shogo Fukushima, Rajiv K. Kalia1, Thomas Linker, Ken-ichi Nomura, Aiichiro Nakano, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta

    2022 MRS Spring Meeting　2022/05

  12. Size-Dependent Melting Temperature of Rubidium: Thermodynamic Integration Based on First-principles Calculations International-presentation International-coauthorship

    Shogo Fukushima, Aiichiro Nakano, Rajiv K Kalia, Priya Vashishta, Fuyuki Shimojo, Hiroyuki Kumazoe, Masaaki Misawa, KoheiShimamura, and Akihide Koura

    APS March Meeting 2022　2022/03

  13. 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-xSexの構造の再現 International-coauthorship

    福島省吾, 法橋陽, 竹下雄輔, 島村孝平, 高良明英, 下條冬樹A, A. Nakano, R. K. Kalia, P.Vashishta

    日本物理学会 2021年秋季大会　2021/09

  14. Size Dependence of Melting Temperature of Rubidium Using Thermodynamic Integration Based on First-Principles Molecular-Dynamics Simulations International-presentation International-coauthorship

    Shogo Fukushima, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta

    The 15th International Student Conference on Advanced Science and Technology　2020/12

  15. 第一原理分子動力学法に基づく熱力学積分及び熱力学摂動理論を用いた自由エネルギー計算 International-coauthorship

    福島省吾, 島村孝平, 高良明英, 下條冬樹, A. Nakano, Rajiv K. Kalia, P. Vashishta

    日本物理学会 2020年秋季大会　2020/09

  16. 第一原理計算に基づいた機械学習によるアルカリ金属の融点の決定 International-coauthorship

    福島省吾, 牛島栄作, 三澤賢明, 島村孝平, 高良明英, 下條冬樹, A. Nakano, Rajiv K. Kalia, P. Vashishta

    第33回 分子シミュレーション討論会　2019/12

  17. Thermal Conductivity by Neural Network Potential Constructed from First-Principles Molecular-Dynamics International-presentation

    Shogo Fukushima, Masaaki Misawa, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo

    The 4th Asian Applied Physics Conference　2019/11

  18. Molecular-Dynamics Study of Thermal Conductivity of Silver Chalcogenides International-presentation

    Shogo Fukushima, Akihide Koura, Fuyuki Shimojo

    14th International Conference on The Structure of Non-crystalline Materials　2019/11

  19. Molecular-Dynamics Study of Thermal Conductivity by Neural Network Potential Constructed from First-Principles International-presentation

    Shogo Fukushima, Masaaki Misawa, Kohei Shimamura, Akihide Koura, Fuyuki Shimojo

    The 14th International Student Conference on Advanced Science and Technology　2019/11

  20. 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 International-coauthorship

    福島省吾, 熊添博之, S. Tiwari, 下條冬樹, Rajiv K. Kalia, A. Nakano, P. Vashishta

    日本物理学会 第74回年次大会　2019/03

  21. Effects of various substituents on dielectric constant of polyethylene: first-principles study International-presentation International-coauthorship

    Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa, Subodh Tiwari, Fuyuki Shimojo, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta

    The 13th International Student Conference on Advanced Science and Technology　2018/11

  22. Effects of various substituents on dielectric constant of polyethylene based on first-principle calculations International-presentation International-coauthorship

    Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa, Subodh Tiwari, Fuyuki Shimojo, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta

    International Symposium on Advanced Materials Having Multi-Degrees-of-Freedom 2018　2018/11

  23. 第一原理計算に基づく様々な置換基によるポリエチレンの比誘電率への影響 International-coauthorship

    福島省吾, 熊添博之, 三澤賢明, S. Tiwari, 下條冬樹, Rajiv K. Kalia, A. Nakano, P. Vashishta

    日本物理学会 2018年秋季大会　2018/09

  24. 高分子の絶縁破壊現象の第一原理シミュレーション International-coauthorship

    福島省吾, 熊添博之, 三澤賢明, S. Tiwari, 下條冬樹, R. K. Kalia, A. Nakano, P. Vashishta

    日本物理学会 第73回年次大会　2018/03

Show all Show first 5

Research Projects 2

  1. Establishment of Design Guidelines for Extreme Environment Resistant High Entropy Alloys based on Machine Learning Molecular Dynamics Method

    Shogo Fukushima

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Institution: Tohoku University

    2025/04 - 2028/03

  2. Calculation of Thermal Conductivity of Silver Chalcogenides by Machine Learning based on First-principles Molecular Dynamics

    Shogo Fukushima

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for JSPS Fellows

    Institution: Kumamoto University

    2021/04 - 2023/03