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<p>Machine learning molecular dynamics (MLMD) has become an important simulation method in materials science. This paper briefly introduces the recent development of MLMD and the basics of MLMD. In addition, some applications of MLMD for materials with complex structures are shown. The results of these applications imply that MLMD is a promising method for accurate simulations of materials with complex structures.</p>

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Machine Learning Molecular Dynamics Simulations of Materials with Complex Structures

  • 期刊论文

  • 发表日期：

    2025年8月3日

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  • Masahiko Okumura

摘要

Machine learning molecular dynamics (MLMD) has become an important simulation method in materials science. This paper briefly introduces the recent development of MLMD and the basics of MLMD. In addition, some applications of MLMD for materials with complex structures are shown. The results of these applications imply that MLMD is a promising method for accurate simulations of materials with complex structures.