21 citations · 43 across the 8 of their papers we have counts for
8 papers
TCSP: a Template based crystal structure prediction algorithm and web server for materials discovery
Lai Wei, Nihang Fu, Edirisuriya M. D. Siriwardane +5
Fast and accurate crystal structure prediction (CSP) algorithms and web servers are highly desirable for exploring and discovering new materials out of the infinite design space. H…
Crystal structure prediction using age-fitness multi-objective genetic algorithm and coordination number constraints
Wenhui Yang, Edirisuriya M. Dilanga Siriwardane, Jianjun Hu
Crystal structure prediction (CSP) has emerged as one of the most important approaches for discovering new materials. CSP algorithms based on evolutionary algorithms and particle s…
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…
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…
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…