Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground

Schran, Christoph; Behler, Jörg; Marx, Dominik

Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground

2019 | journal article. A publication with affiliation to the University of Göttingen.

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Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground
Schran, C.; Behler, J. & Marx, D. (2019)
Journal of Chemical Theory and Computation, 16(1) pp. 88-99. DOI: https://doi.org/10.1021/acs.jctc.9b00805

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