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

Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai, Georg Kresse, Menno Bokdam (Corresponding author)

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number225701
Number of pages5
JournalPhysical Review Letters
Volume122
Issue number22
DOIs
Publication statusPublished - 7 Jun 2019

Austrian Fields of Science 2012

  • 103018 Materials physics

Keywords

  • TOTAL-ENERGY CALCULATIONS
  • CRYSTAL-STRUCTURE
  • ORGANIC CATIONS
  • POTENTIALS
  • DYNAMICS

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