[G] 組織形成・データ科学

[154] 分子動力学シミュレーションの機械学習モデル

*顏 魯春^1,2、榎木 勝徳¹、大谷 博司¹ (1. 東北大多元研、2. 北京科技大學)

キーワード：AIMD、machine learning、DPMD、prediction model、liquid metal

In the present study, we evaluated the force fields and thermodynamic quantities for liquid metals by means of the machine learning method and compared the results with those by the AIMD calculation.