By D. C. Rapaport - The Art of Molecular Dynamics Simulation: 2nd (second) Edition

by D.C. Rapaport

This book describes the extremely powerful technique of molecular dynamics simulation, which involves solving the classical many-body problem in contexts relevant to the study of matter at the atomic level. The method allows the prediction of the static and dynamic properties of substances directly from the underlying interactions between the molecules. Because there is no alternative approach capable of handling such a broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This volume will be of value to advanced students and researchers in physics, chemistry, polymer science and materials science in universities and industrial laboratories.

Unknown Binding

First published January 26, 1996

Reviews

[Hadeer ELHabashy · Rating 5 out of 5]

Science requires both observation and comprehension. Without observation there
are no facts to be comprehended; without comprehension science is mere documentation.
The basis for comprehension is theory, and the language of theoretical
science is mathematics. Theory is constructed on a foundation of hypothesis; the
fewer the hypotheses needed to explain existing observations and predict new phenomena,
the more ‘elegant’ the theory – Occam’s razor.

[Dan Gezelter]

Great overview of fast methods for neighbor lists, etc.

[Shantanu Sharma · Rating 4 out of 5]

Fantastic introduction to molecular dynamics simulations.