44 citations · 55 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2022★ 11 cited
Prediction of surface reconstructions using MAGUS
Yu Han, Junjie Wang, Chi Ding +4
In this paper, we present a new module to predict the potential surface reconstruction configurations of given surface structures in the framework of our machine learning and graph…
cond-mat.mtrl-sci2021★ 44 cited
Enhancing Crystal Structure Prediction by decomposition methods based on graph theory
Hao Gao, Junjie Wang, Yu Han +1
Crystal structure prediction algorithms have become powerful tools for materials discovery in recent years, however, they are usually limited to relatively small systems. The main…