The workflow capabilities includes: (1) setting up user-defined combinatorial chemical spaces of charge neutral mixtures of arbitrary molten mixtures spanning^ **11 cations (Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba and two heavy species, Nd and Th) and 4 anions (F, Cl, Br and I)**, (2) configurational sampling using low-cost empirical parameterizations, (3) ensemble active learning for down-selecting configurational samples for single point density functional theory calculations at the level of strongly constrained and appropriately normed (SCAN) exchange-correlation functional, and (4) Bayesian optimization for hyperparameter tuning of two-body and many-body GAP models*.
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