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cond-mat.mtrl-sci2022★ 8 cited
Large-scale machine-learning-assisted exploration of the whole materials space
Jonathan Schmidt, Noah Hoffmann, Hai-Chen Wang +5
Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures.…
cond-mat.mtrl-sci2022
Machine Learning guided high-throughput search of non-oxide garnets
Jonathan Schmidt, Haichen Wang, Georg Schmidt +1
Garnets, known since the early stages of human civilization, have found important applications in modern technologies including magnetorestriction, spintronics, lithium batteries,…