Improving molecular dynamics calculation of diffusivity in liquids with theoretical models
M. A. Orekhov
Topics & Concepts
Thermal diffusivityMolecular dynamicsStatistical physicsDiffusionScale (ratio)ThermodynamicsMass diffusivityMolecular diffusionChemical physicsChemistryPhysicsComputational chemistryOperations managementMetric (unit)EconomicsQuantum mechanicsPhase Equilibria and ThermodynamicsDiffusion Coefficients in LiquidsSpectroscopy and Quantum Chemical Studies