Molecular Simulation of Fluids - ISBN:0444510826

Molecular Simulation of Fluids

Date: 15 April 2011, 01:15

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Molecular simulation is being used increasingly to study a widening range of both molecular systems and fluid phenomena. Today, the goal of many simulators is to study complicated molecules such as proteins whereas attention was formerly confined almost exclusively to simple atoms and molecules. Similarly, the simulation of phase equilibria is now common whereas just over a decade ago, it was a difficult and rare undertaking. The impetus for the increasing use of molecular simulation can be attributed to many factors such as improvements in theory, algorithms, and computer hardware. These new developments have generated enormous growth in the simulation literature. A simple search on the keywords "Monte Carlo" and "molecular dynamics" in any journal database is likely to yield thousands of entries for the past five years alone. An aim of this book is to examine some of the important aspects of recent progress in molecular simulation.

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