Publication Date:
2018-03-16
Description:
Author(s): Kenta Kanamori, Kazuaki Toyoura, Junya Honda, Kazuki Hattori, Atsuto Seko, Masayuki Karasuyama, Kazuki Shitara, Motoki Shiga, Akihide Kuwabara, and Ichiro Takeuchi We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Ga... [Phys. Rev. B 97, 125124] Published Thu Mar 15, 2018
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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