96 citations · 181 across the 6 of their papers we have counts for
Showing cond-mat.stat-mechShow all
2 papers · 1 filter
cond-mat.stat-mech2023★ 15 cited
Anisotropic molecular coarse-graining by force and torque matching with neural networks
Marltan O. Wilson, David M. Huang
We develop a machine-learning method for coarse-graining condensed-phase molecular systems using anisotropic particles. The method extends currently available high-dimensional neur…
cond-mat.stat-mech2016
Molecular shape and the energetics of chemisorption: From simple to complex energy landscapes
David M. Huang, Peter Harrowell
We enumerate all local minima of the energy landscape for model rigid adsorbates characterized by three or four equivalent binding sites (e.g., thiol groups) on a close-packed (111…