Quantum Mechanics Questions the Molecular Dynamics of Submicron Structures
Tuesday, September 29, 2009 - 01:56
in Physics & Chemistry
In the 1950s, Metropolis and Teller pioneered molecular dynamics (MD) as a method to derive the thermodynamic and transport properties of bulk molecular liquids. Submicron ensembles comprising a few hundred atoms with periodic boundary conditions were used to derive the bulk liquid properties.