most citedPhase transitions of hybrid perovskites simulated by machine-learning force fields trained on-the-fly with Bayesian inference

646 citations · 646 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2019★ 646 cited

Phase transitions of hybrid perovskites simulated by machine-learning force fields trained on-the-fly with Bayesian inference

Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai +2

Realistic finite temperature simulations of matter are a formidable challenge for first principles methods. Long simulation times and large length scales are required, demanding ye…