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Found 3 papers, 2 papers with code
Crystal structure prediction of materials with high symmetry using differential evolution
Our experimental results show that our proposed algorithm CMCrystalHS can effectively solve the problem of inconsistent contact map dimensions and predict the crystal structures with high symmetry.
AlphaCrystal: Contact map based crystal structure prediction using deep learning
To our knowledge, AlphaCrystal is the first neural network based algorithm for crystal structure contact map prediction and the first method for directly reconstructing crystal structures from materials composition, which can be further optimized by DFT calculations.
Protein Structure Prediction
Materials Science
MLatticeABC: Generic Lattice Constant Prediction of Crystal Materials using Machine Learning
Lattice constants such as unit cell edge lengths and plane angles are important parameters of the periodic structures of crystal materials.
Materials Science Computational Physics
