most citedTowards Automated Benchmarking of Atomistic Forcefields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive

44 citations · 44 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2015★ 44 cited

Towards Automated Benchmarking of Atomistic Forcefields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive

Kyle A. Beauchamp, Julie M. Behr, Ariën S. Rustenburg +3

Atomistic molecular simulations are a powerful way to make quantitative predictions, but the accuracy of these predictions depends entirely on the quality of the forcefield employe…