382 citations · 1.6k across the 22 of their papers we have counts for
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physics.chem-ph2019★ 53 cited
Inexpensive modelling of quantum dynamics using path integral generalized Langevin equation thermostats
Venkat Kapil, David M. Wilkins, Jinggang Lan +1
The properties of molecules and materials containing light nuclei are affected by their quantum mechanical nature. Modelling these quantum nuclear effects accurately requires compu…
physics.chem-ph2019★ 1 cited
Atomic-scale representation and statistical learning of tensorial properties
Andrea Grisafi, David M. Wilkins, Michael J. Willatt +1
This chapter discusses the importance of incorporating three-dimensional symmetries in the context of statistical learning models geared towards the interpolation of the tensorial…