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In recent years the interaction between dynamical systems theory and non-equilibrium statistical mechanics has been enormous. The discovery of fluctuation theorems as a fundamental structure common to almost all non-equilibrium systems, and the connections with the free energy calculation methods of Jarzynski and Crooks, have excited both theorists and experimentalists. This graduate-level book charts the development and theoretical analysis of molecular dynamics as applied to equilibrium and non-equilibrium systems. Designed for both researchers in the field and graduate students of physics, it connects molecular dynamics simulation with the mathematical theory to understand non-equilibrium steady states. It also provides a link between the atomic, nano, and macro worlds. The book ends with an introduction to the use of non-equilibrium statistical mechanics to justify a thermodynamic treatment of non-equilibrium steady states, and gives a direction to further avenues of exploration.

Statistical physics --- Nonequilibrium statistical mechanics. --- Thermodynamique irréversible --- Simulation par ordinateur. --- Hydrodynamics. --- Liquids --- Hydrodynamique --- Liquides --- Thermodynamique hors équilibre --- Computer simulation. --- Hydrodynamique. --- Thermodynamique hors équilibre. --- Non-equilibrium statistical mechanics --- Statistical mechanics --- Fluids --- Permeability --- Polywater --- Thermodynamique hors équilibre.

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During the 1980’s there were many developments regarding the nonequilibrium statistical mechanics of dense classical atomic fluids. These developments have had a major impact on the computer simulation methods used to model nonequilibrium fluids. The present volume is, in part, an attempt to provide a pedagogical discussion of the statistical mechanical justification of these algorithms. There is a symbiotic relationship between theoretical nonequilibrium statistical mechanics on the one hand and the theory and practice of computer simulation on the other. Sometimes, the initiative for progress has been with the pragmatic requirements of computer simulation and at other times, the initiative has been with the fundamental theory of nonequilibrium processes. This book summarises progress in this field up to 1990.

Statistical mechanics --- Kinetic theory of liquids --- Physics --- Physical Sciences & Mathematics --- Atomic Physics --- Science: general issues --- Liquids, Kinetic theory of --- Liquids --- Molecular theory --- Mechanics --- Mechanics, Analytic --- Quantum statistics --- Statistical physics --- Thermodynamics --- computer simulation --- statistical mechanics --- liquids --- nonequilibrium fluids --- Cross-correlation matrix --- Equations of motion --- Phase space --- Strain rate --- Thermodynamic equilibrium --- Viscosity

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