Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Learning to Use the Force: Fitting Repulsive Potentials in Density-Functional Tight-Binding with Gaussian Process Regression
, Authors:
Chiara Panosetti, Artur Engelmann, Lydia Nemec, Karsten Reuter, Johannes T. Margraf
Version 1 posted 02 October 2019
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