Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials
- Author(s)
- Carla Verdi, Ferenc Karsai, Peitao Liu, Ryosuke Jinnouchi, Georg Kresse
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- VASP Software GmbH, Toyota Central R&D Labs., Inc.
- Journal
- npj Computational Materials
- Volume
- 7
- No. of pages
- 9
- ISSN
- 2096-5001
- DOI
- https://doi.org/10.1038/s41524-021-00630-5
- Publication date
- 09-2021
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103018 Materials physics, 102009 Computer simulation
- Keywords
- ASJC Scopus subject areas
- Mechanics of Materials, General Materials Science, Computer Science Applications, Modelling and Simulation
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/77fba274-7bc9-4f1e-b339-d38345979693