3 citations · 12 across the 19 of their papers we have counts for
4 papers · 1 filter
Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm
Sadman Sadeed Omee, Lai Wei, Jianjun Hu
While crystal structure prediction (CSP) remains a longstanding challenge, we introduce ParetoCSP, a novel algorithm for CSP, which combines a multi-objective genetic algorithm (MO…
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…
Global mapping of structures and properties of crystal materials
Qinyang Li, Rongzhi Dong, Nihang Fu +3
Understanding material composition-structure-function relationships is of critical importance for the design and discovery of novel functional materials. While most such studies fo…