69 citations · 81 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2023★ 69 cited
Lattice dynamics and ferroelectric properties of the nitride perovskite
Yue-Wen Fang, Craig A. J. Fisher, Akihide Kuwabara +5
Using first-principles calculations we examine the crystal structures and phase transitions of nitride perovskite LaWN. Lattice dynamics calculations indicate that the ground-s…
physics.comp-ph2020★ 12 cited
Facilitating {\it ab initio} configurational sampling of multicomponent solids using an on-lattice neural network model and active learning
Shusuke Kasamatsu, Yuichi Motoyama, Kazuyoshi Yoshimi +3
We propose a scheme for {\it ab initio} configurational sampling in multicomponent crystalline solids using Behler-Parinello type neural network potentials (NNPs) in an unconventio…