The prediction of topologically partitioned intra-atomic and inter-atomic energies by the machine learning method kriging
Crossref DOI link: https://doi.org/10.1007/s00214-016-1951-4
Published Online: 2016-07-27
Published Print: 2016-08
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Maxwell, Peter
di Pasquale, Nicodemo
Cardamone, Salvatore
Popelier, Paul L. A.
Funding for this research was provided by:
Engineering and Physical Sciences Research Council (EP/K005472)
License valid from 2016-07-27