Impact of crystal structure symmetry in training datasets on GNN-based energy assessments for chemically disordered CsPbI(3)
训练数据集中晶体结构对称性对基于 GNN 的化学无序 CsPbI(3) 能量评估的影响
期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-025-92669-3
Krautsou, Aliaksei V; Humonen, Innokentiy S; Lazarev, Vladimir D; Eremin, Roman A; Budennyy, Semen A
