ボルン有効電荷を予測するグラフニューラルネットモデルに関する論文が公開されました。
Representing Born effective charges with equivariant graph convolutional neural networks
Alex Kutana, Koji Shimizu, Satoshi Watanabe, Ryoji Asahi
Scientific reports, 15, 16719 (2025).
Representing Born effective charges with equivariant graph convolutional neural networks
Alex Kutana, Koji Shimizu, Satoshi Watanabe, Ryoji Asahi
Scientific reports, 15, 16719 (2025).