382 citations · 1.7k across the 40 of their papers we have counts for
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physics.chem-ph2023★ 68 cited
MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules
Dávid Péter Kovács, J. Harry Moore, Nicholas J. Browning +8
Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dy…
cond-mat.stat-mech2023
Quasi-one-dimensional hydrogen bonding in nanoconfined ice
Pavan Ravindra, Xavier R. Advincula, Christoph Schran +2
The Bernal-Fowler ice rules stipulate that each water molecule in an ice crystal should form four hydrogen bonds. However, in extreme or constrained conditions, the arrangement of…