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Lijun Liu
劉 麗君
Lijun Liu
劉 麗君
Graduate School of Engineering Department of Mechanical Engineering,Assistant Professor

keyword high performance computing,First-principles calculation,Machine learning,Computational Mechanics,Numerical analysis,Molecular dynamics,Mechanics of materials,Multi-scale computation,Parallel-in-time

Research History 7

  1. 2019/04 - Present
    Osaka University Department of Mechanical Engineering Assistant Professor

  2. 2018/07 - 2019/03
    Osaka University

  3. 2017/11 - 2018/06
    Nagoya University Information technology center Visiting Faculty Member

  4. 2017/10 - 2018/06
    Japan Science and Technology Agency ACT-I Researcher

  5. 2015/09 - 2017/09
    Nagoya University Information technology center Researcher

  6. 2014/09 - 2015/03
    Nagoya University Graduate school of engineering Technical Assistant

  7. 2012/10 - 2013/12
    Toyota Motor Corporation

Education 2

  1. Kyushu University Graduate school of engineering Intelligent Machinery Systems

    2009/10 - 2012/09

  2. South China University of Technology Solid Mechanics

    2007/09 - 2009/09

Committee Memberships 3

  1. The 9th International Conference on Multiscale Materials Modeling (MMM2018) Local Committee

    2018/10 - 2018/11

  2. The 11th International Workshop on CODESIGN (CODESIGN 2025) General Chair

    2025/07 -

  3. The 1st International Workshop on Multiscale Simulation for Emerging Materials Chair

    2019/02 -

Professional Memberships 5

  1. 日本材料学会

  2. 応用物理学会

  3. 日本計算工学会

  4. 日本機械学会

  5. 日本計算力学連合(JACM)

Research Areas 4

  1. Nanotechnology/Materials / Metallic materials /

  2. Manufacturing technology (mechanical, electrical/electronic, chemical engineering) / Machine materials and mechanics /

  3. Informatics / Computational science /

  4. Informatics / High-performance computing /

Awards 1

  1. Outstanding Presentation Award at the 8th Multiscale Materials Mechanics Symposium

    The Japan Society for Materials Science 2023/06

Papers 24

  1. Analytical model for estimating calcium solution strengthening in single-crystal Mg-Ca alloys at finite temperatures

    Lijun Liu, Misaki Miyake, Takumi Matsuda, Li Li, Yoji Shibutani

    Materialia Vol. 32 No. 101900 p. 1-6 2023/12 Research paper (scientific journal)

  2. Numerical study on the ductility improvement mechanism of dilute Mg-Ca alloys

    Lijun Liu, Misaki Miyake, Li Li, Weile Jia, Yoji Shibutani

    Computational Materials Science Vol. 228 No. 112381 p. 1-7 2023/09 Research paper (scientific journal)

  3. Defect interaction summary between edge dislocation and <112>-axis symmetric tilt grain boundaries in copper on activation barriers and critical stresses

    Li Li, Lijun Liu, Yoji Shibutani

    International Journal of Plasticity Vol. 149 p. 103153-834 2022/06 Research paper (scientific journal)

  4. Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms

    Zhuoqiang Guo, Denghui Lu, Yujin Yan, Siyu Hu, Rongrong Liu, Guangming Tan, Ninghui Sun, Wanrun Jiang, Lijun Liu, Yixiao Chen, Linfeng Zhang, Mohan Chen, Han Wang, Weile Jia

    Proceedings of the 27th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming p. 205-218 2022/03/28 Research paper (international conference proceedings)

    Publisher: ACM
  5. A COMINRES‐QLP method for solving complex symmetric linear systems

    Lijun Liu, Kazuaki Sekiya, Masao Ogino, Koki Masui

    Electrical Engineering in Japan Vol. 214 No. 2 p. 1-11 2021/01/15 Research paper (scientific journal)

    Publisher: Wiley
  6. Utilizing machine learning in the three-omega method to predict thermophysical properties with low variation

    Yasuaki Ikeda, Yuki Akura, Ryuto Yamasaki, Yuki Matsunaga, Lijun Liu, Masaki Shimofuri, Amit Banerjee, Toshiyuki Tsuchiya, Jun Hirotani

    Applied Physics Letters Vol. 127 No. 7 2025/08/18 Research paper (scientific journal)

    Publisher: AIP Publishing
  7. Enhancing the precision of thermal conductivity measurement via transducer patterning in frequency-domain thermoreflectance

    Yuki Akura, Yuki Matsunaga, Lijun Liu, Yasuaki Ikeda, Masaki Shimofuri, Amit Banerjee, Toshiyuki Tsuchiya, Jun Hirotani

    Review of Scientific Instruments Vol. 96 No. 8 2025/08/01 Research paper (scientific journal)

    Publisher: AIP Publishing
  8. Large Scale Finite-Temperature Real-Time Time Dependent Density Functional Theory Calculation with Hybrid Functional on ARM and GPU Systems

    Rongrong Liu, Zhuoqiang Guo, Qiuchen Sha, Tong Zhao, Haibo Li, Wei Hu, Lijun Liu, Guangming Tan, Weile Jia

    2025 IEEE International Parallel and Distributed Processing Symposium (IPDPS) p. 801-812 2025/06/03 Research paper (international conference proceedings)

    Publisher: IEEE
  9. 29-Billion Atoms Molecular Dynamics Simulation with Ab Initio Accuracy on 35 Million Cores of New Sunway Supercomputer

    Xun Wang, Xiangyu Meng, Zhuoqiang Guo, Mingzhen Li, Lijun Liu, Mingfan Li, Qian Xiao, Tong Zhao, Ninghui Sun, Guangming Tan, Weile Jia

    IEEE Transactions on Computers p. 1-14 2025/01

  10. Enhanced water adsorption properties of Ti3C2Tx MXene/bentonite thin films for highly sensitive humidity sensing

    Hiroya Morotomi, Yuki Matsunaga, Lijun Liu, Hisashi Sugime, Jun Hirotani

    AIP Advances Vol. 14 No. 12 p. 1-7 2024/12/01 Research paper (scientific journal)

    Publisher: AIP Publishing
  11. Scaling Molecular Dynamics with ab initio Accuracy to 149 Nanoseconds per Day

    Jianxiong Li, Boyang Li, Zhuoqiang Guo, Mingzhen Li, Enji Li, Lijun Liu, Guojun Yuan, Zhan Wang, Guangming Tan, Weile Jia

    International Conference for High Performance Computing, Networking, Storage and Analysis (SC'24) p. 1-15 2024/11 Research paper (scientific journal)

  12. Accurate Description of Coulombic Interactions in Organic Field‐Effect Transistors Enabled by Efficient 3D Poisson's Equation Solver with Mixed Boundary Conditions

    Ying Han, Yubo Geng, Lijun Liu, Haoyuan Li

    Advanced Theory and Simulations 2024/05 Research paper (scientific journal)

    Publisher: Wiley
  13. Enhance the Strong Scaling of LAMMPS on Fugaku

    Jianxiong Li, Tong Zhao, Zhuoqiang Guo, Shunchen Shi, Lijun Liu, Guangming Tan, Weile Jia, Guojun Yuan, Zhan Wang

    Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC'23) p. 1-13 2023/11 Research paper (international conference proceedings)

    Publisher: ACM
  14. Atomistic Defect Interactions in Aluminum, Copper and Nickle: Edge Dislocations and <112>-axis Symmetric Tilt Grain Boundaries

    Li Li, Lijun Liu, Yoji Shibutani

    Materials Transactions Vol. 65 No. 1 2023/10 Research paper (scientific journal)

  15. Defect Interactions between Screw Dislocations and Coherent Twin Boundaries in Several fcc Materials

    Li Li, Lijun Liu, Yoji Shibutani

    Materials Transactions Vol. 63 No. 6 p. 829-834 2022/06 Research paper (scientific journal)

  16. Molecular dynamic simulation approach to understand the physical and proton transport properties of chitosan/sulfonated Poly(Vinyl alcohol) composite membranes

    Chun Yik Wong, Wai Yin Wong, Lijun Liu, Yoji Shibutani, Kee Shyuan Loh

    Polymer Vol. 217 No. 123458 p. 123458-123458 2021/01 Research paper (scientific journal)

    Publisher: Elsevier BV
  17. 複素対称線形システム向けのCOMINRES-QLP法

    劉 麗君, 関谷 和明, 荻野 正雄, 桝井 晃基

    電気学会論文誌B Vol. 140 No. 12 p. 832-841 2020/12 Research paper (scientific journal)

  18. Multiple-precision iterative methods for the solution of complex symmetric systems of electromagnetic analysis

    K., Masui, M.,Ogino, L., Liu

    Numerical Methods for Flows in Lecture Notes in Computational Science and Engineering p. 321-329 2020/02 Research paper (scientific journal)

  19. Efficient compression of scientific floating-point data and an application in structural analysis

    Lijun Liu, Masao Ogino, Katsumi Hagita

    Transactions of the Japan Society for Computational Engineering and Science Vol. 2017 2017 Research paper (scientific journal)

    Publisher: Japan Society for Computational Engineering and Science
  20. Tsunami Run-Up and Inundation Simulations Using LexADV_EMPS Solver Framework on Fujitsu FX100

    Masao Ogino, Hongjie Zheng, Kohei Murotani, Seiichi Koshizuka, Ryuji Shioya, Liu Lijun

    SC16 2016/11

  21. Performance evaluation of efficient data compression JHPCN-DF for large-scale structural analysis

    Lijun Liu, Masao Ogino

    Mechanical Engineering Letters Vol. 2 p. 16-00119-00119-16-00119 2016/03 Research paper (scientific journal)

    Publisher: The Japan Society of Mechanical Engineers
  22. A possible explanation for the contradictory results of hydrogen effects on macroscopic deformation

    Reza Miresmaeili, Lijun Liu, Hiroshi Kanayama

    INTERNATIONAL JOURNAL OF PRESSURE VESSELS AND PIPING Vol. 99 p. 34-43 2012/11 Research paper (scientific journal)

  23. Finite Element Simulation of Tensile Tests for α-Iron in the Presence of Hydrogen

    Agung Premono, Lijun Liu, Reza Miresmaeili, Hiroshi Kanayama

    Journal of Computational Science and Technology Vol. 6 No. 2 p. 39-53 2012

    Publisher: The Japan Society of Mechanical Engineers
  24. Finite Element Implementation of an Elastoplastic Constitutive Equation in the Presence of Hydrogen

    Lijun Liu, Reza Miresmaeili, Masao Ogino, Hiroshi Kanayama

    Journal of Computational Science and Technology Vol. 5 No. 1 p. 62-76 2011

    Publisher: The Japan Society of Mechanical Engineers

Presentations 21

  1. 深層学習と第一原理計算による鉄-炭素系の高精度原子間ポテンシャルの開発

    劉麗君

    日本鉄鋼協会第189回春季講演大会 2025/03/08

  2. Development and Evaluation of Mg-Ca Deep Learning Interatomic Potentials with First-Principles Accuracy

    Lijun Liu, Yoji Shibutani

    the 16th World Congress on Computational Mechanics and 4th Pan American Congress on Computational Mechanics 2024/07/22

  3. 第一原理計算に基づくMg-Ca深層学習 原子間ポテンシャルの開発と評価

    劉麗君, 渋谷陽二

    第9回マルチスケール材料力学シンポジウム 2024/05/24

  4. 富岳における深層学習原子間ポテンシャルの性能最適化

    劉麗君, 渋谷陽二

    第36回計算力学講演会 2023/10/26

  5. 固溶体効果によるMg合金の延性向上機構に関する分子動力学解析

    劉麗君, 渋谷陽二

    M&M2023 材料力学カンファレンス 2023/09/27

  6. Large-scale Deep Learning Molecular Dynamics Simulations with Ab Initio Accuracy on Supercomputer Fugaku

    Lijun Liu, Zhuoqiang Guo, Weile Jia

    14th International Conference on Computational Methods 2023/08/07

  7. 分子動力学解析によるMg-Ca合金の固溶強化の評価

    劉麗君, 三宅美咲, 渋谷陽二

    第8回マルチスケール材料力学シンポジウム 2023/05/28

  8. Long-Time Molecular Dynamics: Parallel-in-Time Integration and Machine Learning Interatomic Potentials

    Lijun Liu, Yoji Shibutani

    14th WCCM & ECCOMAS Congress 2020 (Virtual congress ) 2021/01/14

  9. New Deep Learning Interatomic Potential for Pure Magnesium

    Lijun Liu, Daisuke Matsunaka, Yoji Shibutani

    The 11th International Conference on Computational Methods (Virtual conference ) 2020/08/10

  10. Evaluation of An Efficient 3D Poisson Solver for Organic Field-Effect Transistors Simulation

    Lijun Liu, Haoyuan Li, Jean-Luc Bredas

    COMPUMAG2019 2019/07/19

  11. Simulations of Organic Field-Effect Transistors by the Combination of Finite Difference Method and Kinetic Monte Carlo Method

    Lijun Liu, Haoyuan Li, Jean-Luc Bredas

    International Conference on Computational Methods 2019 2019/07/11

  12. A reactive molecular dynamics study of graphene as a protective barrier against hydrogen embrittlement

    Lijun Liu, Katsumi Hagita, Jun Hirotani

    the 9th International Conference on Computational Methods 2018/08/06

  13. Mixed Precision Iterative Methods for Complex Symmetric Systems

    Lijun Liu, Masao Ogino, Kazuaki Sekiya

    World Congress on Computational Mechanics/2nd Pan American Congress on Computational Mechanics 2018/07/22

  14. Iterative Substructuring Methods for Solving Large-scale Complex Symmetric Linear Systems in Electromagnetic Field Analysis

    Lijun Liu, Masao Ogino

    the 2nd International Conference on Computational Engineering and Science for Safety and Environmental Problems 2017/10/15

  15. Performance evaluation of large-scale high-frequency electromagnetic field simulations using iterative substracturing methods

    Lijun Liu, Masao Ogino

    the 8th International Conference on Computational Methods 2017/07/25

  16. Tsunami run-up and inundation simulations using LexADV_EMPS solver framework on Fujitsu FX100

    Masao Ogino, Hongjie Zheng, Kohei Murotani, Seiichi Koshizuka, Ryuji Shioya, Lijun Liu

    SC16 2016/11/13

  17. Performance Evaluation of Data Compression Methods in Linear Static and Dynamic Finite Element Analysis

    Lijun Liu, Masao Ogino

    the 7th International Conference on Computational Methods 2016/08/01

  18. Improvements of a parallel finite element code for efficient data compression and visualization

    Lijun Liu, Masao Ogino

    the 12th World congress on Computational Mechanics and the 6th Asia-Pacific Congress on Computational Mechanics 2016/07/24

  19. Numerical Simulation of Void Coalescence for Alpha-Iron in the Presence of Hydrogen

    Lijun Liu

    the KSME-JSME Joint Symposium on CM & CAE 2012 2012/09/09

  20. Hydrogen Assisted Ductile Crack Growth in Metals

    Lijun Liu, Reza Miresmaeili, Masao Ogino, Hiroshi Kanayama

    the 11th US National Congress on Computational Mechanics (USCCM11) 2011/07/25

  21. Finite Element Analysis of a Coupled Elastoplastic-Transient Hydrogen Diffusion to Simulate Necking Problems

    Hiroshi Kanayama, Masao Ogino, Reza Miresmaeili, Lijun Liu

    the World Congress on Computational Mechanics/Asia-Pacific Congress on Computational Mechanics (WCCM/APCOM) 2010/07/19

Institutional Repository 1

Content Published in the University of Osaka Institutional Repository (OUKA)
  1. Analytical model for estimating calcium solution strengthening in single-crystal Mg-Ca alloys at finite temperatures

    Liu Lijun, Miyake Misaki, Matsuda Takumi, Li Li, Shibutani Yoji

    Materialia Vol. 32 2023/12/01