144 citations · 408 across the 8 of their papers we have counts for
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physics.chem-ph2019
Path-integral dynamics of water using curvilinear centroids
George Trenins, Michael J. Willatt, Stuart C. Althorpe
We develop a path-integral dynamics method for water that resembles centroid molecular dynamics (CMD), except that the centroids are averages of curvilinear, rather than cartesian,…
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…