most citedAssessing the Frontier: Active Learning, Model Accuracy, and Multi-objective Materials Discovery and Optimization

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cond-mat.mtrl-sci2018

Machine-learned multi-system surrogate models for materials prediction

Chandramouli Nyshadham, Matthias Rupp, Brayden Bekker +6

Surrogate machine-learning models are transforming computational materials science by predicting properties of materials with the accuracy of ab initio methods at a fraction of the…