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ORCID"FFLUX molecular simulations driven by atomic Gaussian process regression ..."
Yulian T. Manchev, Paul L. A. Popelier (2024)
- Yulian T. Manchev, Paul L. A. Popelier:
FFLUX molecular simulations driven by atomic Gaussian process regression models. J. Comput. Chem. 45(15): 1235-1246 (2024)
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