Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture
Open Access
- 21 May 2021
- journal article
- research article
- Published by Springer Science and Business Media LLC in npj Computational Materials
- Vol. 7 (1), 1-9
- https://doi.org/10.1038/s41524-021-00543-3
Abstract
No abstract availableKeywords
Funding Information
- U.S. Department of Energy (DE-AC05-00OR22725, DE-AC05-00OR22725)
- Bosch Research and Technology Center Toyota Research Institute
- Funding sources are the same as Dr. Jonathan Mailoa
- United States Department of Commerce | National Institute of Standards and Technology (70NANB14H012)
- DOE | Advanced Research Projects Agency - Energy (DE-AR0000775)
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