The Art of Molecular Dynamics Simulation - 2nd edn

D. C. Rapaport (Cambridge University Press, 2004)





The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for more experienced practitioners. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements.

This second edition has been extensively revised and enlarged. It contains a substantial amount of new material and the software used in the case studies has been completely rewritten.

A Russian translation Iskustvo Molekularnoi Dinamiki was published in 2012.

Citations (as of December 2013): WoS 1620, Google Scholar 3100; software downloads 9500+.