TY  - DATA
AU  - Rapaport, D.
TI  - The Art of Molecular Dynamics Simulation
SN  - 9780511816581
U1  - 532.05 
PY  - 2004///
CY  - Cambridge
PB  - : Cambridge University Press
KW  - Dynamics Simulation
KW  - Molecular Dynamics
KW  - Molecules
N2  - 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 extremely 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, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. 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. The second edition of the book includes a substantial amount of new material as well as completely rewritten software
UR  - https://doi.org/10.1017/CBO9780511816581
ER  -