On-the-fly machine learning force field generation: Application to melting points

Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number014105
Number of pages15
JournalPhysical Review B
Volume100
Issue number1
DOIs
Publication statusPublished - 17 Jul 2019

Austrian Fields of Science 2012

  • 103015 Condensed matter
  • 103018 Materials physics

Keywords

  • 1ST-ORDER PHASE-TRANSITIONS
  • TOTAL-ENERGY CALCULATIONS
  • MOLECULAR-DYNAMICS
  • POTENTIALS

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