6 citations · 10 across the 3 of their papers we have counts for
5 papers · 1 filter
Composition based crystal materials symmetry prediction using machine learning with enhanced descriptors
Yuxin Li, Rongzhi Dong, Wenhui Yang +1
Geometric information such as the space groups and crystal systems plays an important role in the properties of crystal materials. Prediction of crystal system and space group thus…
Crystal structure prediction of materials with high symmetry using differential evolution
Wenhui Yang, Edirisuriya M. Dilanga Siriwardane, Rongzhi Dong +2
Crystal structure determines properties of materials. With the crystal structure of a chemical substance, many physical and chemical properties can be predicted by first-principles…
MLatticeABC: Generic Lattice Constant Prediction of Crystal Materials using Machine Learning
Yuxin Li, Wenhui Yang, Rongzhi Dong +1
Lattice constants such as unit cell edge lengths and plane angles are important parameters of the periodic structures of crystal materials. Predicting crystal lattice constants has…
Distance Matrix based Crystal Structure Prediction using Evolutionary Algorithms
Jianjun Hu, Wenhui Yang, Edirisuriya M. Dilanga Siriwardane
Crystal structure prediction (CSP) for inorganic materials is one of the central and most challenging problems in materials science and computational chemistry. This problem can be…
Contact Map based Crystal Structure Prediction using Global Optimization
Jianjun Hu, Wenhui Yang, Rongzhi Dong +3
Crystal structure prediction is now playing an increasingly important role in discovery of new materials. Global optimization methods such as genetic algorithms (GA) and particle s…