Making free-energy calculations routine: Combining first principles with machine learning
- Author(s)
- Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Toyota Central R&D Labs., Inc., VASP Software GmbH, Universität Wien
- Journal
- Physical Review B
- Volume
- 101
- No. of pages
- 5
- ISSN
- 2469-9950
- DOI
- https://doi.org/10.1103/PhysRevB.101.060201
- Publication date
- 02-2020
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103015 Condensed matter, 103029 Statistical physics
- Keywords
- ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials, Condensed Matter Physics
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/making-freeenergy-calculations-routine-combining-first-principles-with-machine-learning(f553be4a-bebc-455b-96d2-c7c03eae57a2).html