Determination of hyper-parameters in the atomic descriptors for efficient and robust molecular dynamics simulations with machine learning forces | 研究者総覧SAMURAI - 物質・材料研究機構 (NIMS)

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Determination of hyper-parameters in the atomic descriptors for efficient and robust molecular dynamics simulations with machine learning forces

Jianbo Lin, Ryo Tamura, Yasunori Futamura, Tetsuya Sakurai, Tsuyoshi Miyazaki.

Physical Chemistry Chemical Physics 25 [27] 17978-17986. 2023.

https://doi.org/10.1039/d3cp01922e

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作成時刻: 2023-07-26 03:26:21 +0900更新時刻: 2025-01-16 08:30:31 +0900

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