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Found 3 papers, 2 papers with code
Shotgun crystal structure prediction using machine-learned formation energies
Stable or metastable crystal structures of assembled atoms can be predicted by finding the global or local minima of the energy surface defined on the space of the atomic configurations.
Crystal structure prediction with machine learning-based element substitution
The prediction of energetically stable crystal structures formed by a given chemical composition is a central problem in solid-state physics.
Recreation of the Periodic Table with an Unsupervised Machine Learning Algorithm
In 1869, the first draft of the periodic table was published by Russian chemist Dmitri Mendeleev.
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