Understanding Molecular Simulation: From Algorithms to Applications ANNOTATION
Audience: Graduate students in physics and materials science departments studying molecular simulation techniques; scientists in the fields of polymers, materials science, and applied physics.
FROM THE PUBLISHER
This book explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. Since a wide variety of computational tools exists, the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Examples are included that highlight current applications, and the codes of the case studies are available on the World Wide Web. No prior knowledge of computer simulation is assumed.
FROM THE CRITICS
Booknews
This work for nonexperts involved in computer simulation explains the physics behind the techniques of molecular simulation in materials science, allowing those using simulation to choose appropriate techniques and improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use is demonstrated in case studies. This edition presents new material on areas such as transition path sampling and diffusive barrier crossing to simulate rare events, dissipative particle dynamics as a course-grained simulation technique, and parallel tempering for glassy Hamiltonians. Frenkel is affiliated with the FOM Institute for Atomic and Molecular Physics and teaches chemical engineering at the University of Amsterdam, The Netherlands. Smit teaches chemical engineering at the University of Amsterdam. Annotation c. Book News, Inc., Portland, OR (booknews.com)
Booknews
A unified presentation of the computational tools that are currently used to study the equilibrium properties, and in particular, the phase behavior of molecular and supramolecular substances. This book explains the physics behind the "recipes" of molecular simulation for materials science. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Examples are included that highlight current applications, and the codes of the case studies are available on the World Wide Web. No prior knowledge of computer simulation in assumed--but the book is aimed at readers who are active in computer simulation or are planning to become so. Annotation c. Book News, Inc., Portland, OR (booknews.com)
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