Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials
- Author(s)
- Andreas Singraber, Jörg Behler, Christoph Dellago
- Organisation(s)
- Computational and Soft Matter Physics
- External organisation(s)
- Georg-August-Universität Göttingen
- Journal
- Journal of Chemical Theory and Computation
- Volume
- 15
- Pages
- 1827-1840
- No. of pages
- 14
- ISSN
- 1549-9618
- DOI
- https://doi.org/10.1021/acs.jctc.8b00770
- Publication date
- 03-2019
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104022 Theoretical chemistry, 102009 Computer simulation
- Keywords
- ASJC Scopus subject areas
- Computer Science Applications, Physical and Theoretical Chemistry
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/librarybased-lammps-implementation-of-highdimensional-neural-network-potentials(c8dcedfe-9fca-49f1-a495-6c00c1e2a193).html