activity
20162025
most citedPhase transitions of hybrid perovskites simulated by machine-learning force fields trained on-the-fly with Bayesian inference

646 citations · 945 across the 9 of their papers we have counts for

collaborators
Showing 2018Show all

1 paper · 1 filter

cond-mat.mtrl-sci2018★ 39 cited

The Finite Temperature Structure of the MAPbI3 Perovskite: Comparing Density Functional Approximations and Force Fields to Experiment

Jonathan Lahnsteiner, Georg Kresse, Jurn Heinen +1

Determining the finite temperature structure of the hybrid perovskite MAPbI3 is a challenge for both experimental and theoretical methods. A very powerful computational method that…