2 papers
physics.chem-ph2021
Simulations of water and hydrophobic hydration using a neural network potential
Alexander S. Lyons, Steven W. Rick
Using a neural network potential (ANI-1ccx) generated from quantum data on a large data set of molecules and pairs of molecules, isothermal, constant volume simulations demonstrate…
cond-mat.soft2016
Ion clustering in aqueous salt solutions near the liquid/vapor interface
J. D. Smith, S. W. Rick
Molecular dynamics simulations of aqueous NaCl, KCl, NaI, and KI solutions are used to study the effects of salts on the properties of the liquid/vapor interface. The simulations u…