Comparing machine learning potentials for water: Kernel-based regression and Behler–Parrinello neural networks.
| Autor: | Montero de Hijes, Pablo1,2 (AUTHOR) pablo.montero.de.hijes@univie.ac.at, Dellago, Christoph1 (AUTHOR), Jinnouchi, Ryosuke3 (AUTHOR), Schmiedmayer, Bernhard1 (AUTHOR), Kresse, Georg1,4 (AUTHOR) |
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| Zdroj: | Journal of Chemical Physics. 3/21/2024, Vol. 160 Issue 11, p1-12. 12p. |
| Databáze: | Academic Search Ultimate |
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