David M. Wilkins

i-PI 2.0: A universal force engine for advanced molecular simulations

Venkat Kapil, Mariana Rossi, Ondřej Maršálek et al. · Computer Physics Communications · 2018 · 383 citations · Full text

Natural Sciences, Chemistry, Physics +14

Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems

Andrea Grisafi, David M. Wilkins, Gábor Cśanyi et al. · Physical Review Letters · 2018 · 318 citations · Full text

Natural Sciences, Chemistry, Physics +17

Transferable Machine-Learning Model of the Electron Density

Andrea Grisafi, Alberto Fabrizio, Benjamin Meyer et al. · ACS Central Science · 2018 · 267 citations · Full text

Natural Sciences, Chemistry, Physics +17

Electrolytes induce long-range orientational order and free energy changes in the H-bond network of bulk water

Yixing Chen, Halil İ. Okur, N. Gomopoulos et al. · Science Advances · 2016 · 216 citations · Full text

Natural Sciences, Chemistry, Electrochemistry +16

Accurate molecular polarizabilities with coupled cluster theory and machine learning

David M. Wilkins, Andrea Grisafi, Yang Yang et al. · Proceedings of the National Academy of Sciences · 2019 · 210 citations · Full text

Natural Sciences, Chemistry, Physics +17