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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.

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    Created at: 2023-07-26 03:26:21 +0900Updated at: 2025-01-16 08:30:31 +0900

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