Pformer: a plug-and-play periodicity-aware embedding for crystal property prediction
Predicting macroscopic properties of crystalline materials from atomic structure remains a central challenge in computational materials science. We introduce Pformer, a modular crystal representation framework built around a Fourier-inspired source encoder. The source model is trained by supervised scalar-property re...
Te-Shu Yao, Yun-Fei Zhao, Jiajun Bie et al.
· Machine Learning: Science an... · 0 citations