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"A Scalable Molecular Force Field Parameterization Method Based on Density ..."
Raimondas Galvelis et al. (2019)
- Raimondas Galvelis
, Stefan Doerr
, João M. Damas
, Matt J. Harvey, Gianni De Fabritiis
:
A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning. J. Chem. Inf. Model. 59(8): 3485-3493 (2019)
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