9 citations · 10 across the 4 of their papers we have counts for
4 papers
AlphaCrystal-II: Distance matrix based crystal structure prediction using deep learning
Yuqi Song, Rongzhi Dong, Lai Wei +2
Computational prediction of stable crystal structures has a profound impact on the large-scale discovery of novel functional materials. However, predicting the crystal structure so…
Towards Quantitative Evaluation of Crystal Structure Prediction Performance
Lai Wei, Qin Li, Sadman Sadeed Omee +1
Crystal structure prediction (CSP) is now increasingly used in the discovery of novel materials with applications in diverse industries. However, despite decades of developments, t…
MD-HIT: Machine learning for materials property prediction with dataset redundancy control
Qin Li, Nihang Fu, Sadman Sadeed Omee +1
Materials datasets are usually featured by the existence of many redundant (highly similar) materials due to the tinkering material design practice over the history of materials re…
AlphaCrystal: Contact map based crystal structure prediction using deep learning
Jianjun Hu, Yong Zhao, Qin Li +4
Crystal structure prediction is one of the major unsolved problems in materials science. Traditionally, this problem is formulated as a global optimization problem for which global…