Bayesian active learning with SSCHA predicts phase transitions in materials like CsPbI3 using only 50-256 first-principles calculations.
Mauri, Journal of Physics: Condensed Matter 33, 363001 (2021)
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Predicting challenging phase transitions with Bayesian active learning
Bayesian active learning with SSCHA predicts phase transitions in materials like CsPbI3 using only 50-256 first-principles calculations.