115 citations · 129 across the 3 of their papers we have counts for
3 papers
cond-mat.stat-mech2022★ 3 cited
Atomistic Simulation Framework for Molten Salt Vapor-Liquid Equilibrium Prediction and its Application to NaCl
Leann Tran, Jiri Skvara, William R. Smith
Knowledge of the vapor-liquid equilibrium (VLE) properties of molten salts is important in the design of thermal energy storage systems for solar power and nuclear energy productio…
physics.chem-ph2017★ 11 cited
Molecular Simulation of Caloric Properties of Fluids Modelled by Force Fields with Intramolecular Contributions: Application to Heat Capacities
William R. Smith, Jan Jirsák, Ivo Nezbeda +1
The calculation of caloric properties such as heat capacity, Joule-Thomson coefficients and the speed of sound by classical force-field-based molecular simulation methodology has r…
cond-mat.soft2016★ 115 cited
Recent Progress in Molecular Simulation of Aqueous Electrolytes: Force Fields, Chemical Potentials and Solubility
Ivo Nezbeda, Filip Moučka, William R. Smith
Although aqueous electrolytes are among the most important solutions, the molecular simulation of their intertwined properties of chemical potentials, solubility and activity coeff…