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"A Scalable Molecular Force Field Parameterization Method Based on Density ..."

Raimondas Galvelis et al. (2019)

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DOI: 10.1021/ACS.JCIM.9B00439

access: closed

type: Journal Article

metadata version: 2021-09-01

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  - https://dblp.org/rec/journals/jcisd/GalvelisDDHF19
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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