News - Papers

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