On-the-fly machine learning force field generation: Application to melting points
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.100.014105/fulltext
Reference64 articles.
1. Ab InitioMolecular Dynamics Study of First-Order Phase Transitions: Melting of Silicon
2. First-order phase transitions by first-principles free-energy calculations: The melting of Al
3. Exchange-correlation energy and the phase diagram of Si
4. Triple-point coexistence properties of the lennard-jones system
5. Faceting at the silicon (100) crystal-melt interface: Theory and experiment
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