Best Practices for Computing Transport Properties 1. Self-Diffusivity and Viscosity from Equilibrium Molecular Dynamics [Article v1.0]

By E. Maginn, Richard A. Messerly, Daniel J. Carlson, D. Roe, Richard Elliott. Living journal of computational molecular science, 2019

328 citations recorded by the source corpus.

1Department of Chemical and Biomolecular Engineering, The University of Notre Dame; 2Thermodynamics Research Center, National Institute of Standards and Technology; 3Chemical Engineering Department, Brigham Young University; 4Laboratory of Computational Biology, National Heart Lung and Blood Institute, National Institutes of Health; 5Department of Chemical and Biomolecular Engineering, The University of Akron

Subfields: Electrical and Electronic Engineering, Materials Chemistry, Renewable Energy, Sustainability and the Environment

View Paper: https://www.semanticscholar.org/paper/d783fc7be01a4e7371d9515cff03a7a420c17b94