Abstract
In these lectures we review the relationship of Non-equilibrium Molecular Dynamics (NEMD) computer simulations to non-equilibrium statistical mechanics. We derive the Green-Kubo relations for the frequency and wavevector dependent shear viscosity coefficients that describe the phenomenon known as viscoelasticity. We introduce thermostatted equations of motion and use them to discuss the nonlinear steady state response of many body systems. We generalize the Green-Kubo relations for thermostatted systems far from equilibrium and show how these generalized response theory relations, the Transient Time Correlation Function and the Kawasaki formalisms, can be used to derive fluctuation relations for the derived properties of nonequilibrium steady states, such as the compressibilities and specific heats.
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