From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF-5
Author:
Affiliation:
1. Universität Göttingen, Institut für Physikalische Chemie, Theoretische Chemie, Tammannstraße 6, D-37077 Göttingen, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01288
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