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

646 citations · 714 across the 2 of their papers we have counts for

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2 papers

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…

cond-mat.mtrl-sci2016★ 68 cited

Room temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab-initio molecular dynamics perspective

Jonathan Lahnsteiner, Georg Kresse, Abhinav Kumar +3

The high efficiency of lead organo-metal-halide perovskite solar cells has raised many questions about the role of the methylammonium (MA) molecules in the Pb-I framework. Experime…