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.