Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference

Author(s)
Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai, Georg Kresse, Menno Bokdam
Organisation(s)
Computational Materials Physics
External organisation(s)
Toyota Central R&D Labs., Inc., VASP Software GmbH
Journal
Physical Review Letters
Volume
122
No. of pages
5
ISSN
0031-9007
DOI
https://doi.org/10.1103/PhysRevLett.122.225701
Publication date
06-2019
Peer reviewed
Yes
Austrian Fields of Science 2012
103018 Materials physics
Keywords
ASJC Scopus subject areas
Physics and Astronomy(all)
Portal url
https://ucris.univie.ac.at/portal/en/publications/phase-transitions-of-hybrid-perovskites-simulated-by-machinelearning-force-fields-trained-on-the-fly-with-bayesian-inference(1ad2c78b-2d4b-4a68-b137-9d1ab4bb6c25).html