104 citations · 110 across the 4 of their papers we have counts for
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stat.ML2016★ 5 cited
Space-Filling Curves as a Novel Crystal Structure Representation for Machine Learning Models
Dipti Jasrasaria, Edward O. Pyzer-Knapp, Dmitrij Rappoport +1
A fundamental problem in applying machine learning techniques for chemical problems is to find suitable representations for molecular and crystal structures. While the structure re…
physics.chem-ph2016★ 1 cited
Calibration of the Many-Body Dispersion Range-Separation Parameter
Thomas Markovich, Martin A. Blood-Forsythe, Dmitrij Rappoport +2
Recent work has shown that a fully many-body treatment of noncovalent interactions, such as that given by the method of many-body dispersion (MBD), is vital to accurately modeling…