Machine-learning-based selective sampling procedure for identifying the low-energy region in a potential energy surface: A case study on proton conduction in oxides

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Kazuaki Toyoura, Daisuke Hirano, Atsuto Seko, Motoki Shiga, Akihide Kuwabara, Masayuki Karasuyama, Kazuki Shitara, Ichiro Takeuchi.

Physical Review B 93 [5] 054112. 2016.

作成時刻: 2017-11-23 21:44:11 +0900 更新時刻: 2026-10-29 05:25:22 +0900