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Papers
Date:2024年01月26日
A paper related to Have has been published in The Journal of Computer Physics co……
A paper "H-wave – A Python package for the Hartree-Fock approximation and the random phase approximation" related to H-wave has been published in The Journal of CPC. "H-wave -- A Python package for the Hartree-Fock approximation and the random phase approximation," Tatsumi Aoyama, Kazuyoshi Yoshimi, Kota Ido, Yuichi Motoyama, Taiki Kawamura, Takahiro Misawa, Takeo Kato, Akito Kobayashi, Comp. Phys. Commun. 298, 109087 (2024).
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