Top
About
News
Member
Access
Archive
JP
EN
NEWS
All
Presentation
Event
Papers
Others
Papers
Date:2022年09月24日
A paper related to abICS has been published in The Journal of Chemical Physics.
A paper "Facilitating ab initio configurational sampling of multicomponent solids using an on-lattice neural network model and active learning" related to abICS has been published in The Journal of Chemical Physics. This paper discusses structural stability using aenet, a software that uses neural networks to calculate interatomic potentials. This functionality has been implemented in abICS ver. 2.0 and is already available. Report information:"Facilitating ab initio configurational sampling of multicomponent solids using an on-lattice neural network model and active learning" Shusuke Kasamatsu, Yuichi Motoyama, Kazuyoshi Yoshimi, Ushio Matsumoto, Akihide Kuwabara, and Takafumi Ogawa, J. Chem. Phys. 157, 104114 (2022). DOI: https://doi.org/10.1063/5.0096645