TY - BOOK AU - Rapaport,D.C. TI - The art of molecular dynamics simulation SN - 0521825687 (hardback) U1 - 539.6 22 PY - 2004/// CY - Cambridge, New York PB - Cambridge University Press KW - Condensed matter KW - Computer simulation KW - BUEsh KW - Molecular dynamics KW - GGEN KW - ENGCHE KW - ENGGEN KW - November2018 KW - Reading book N1 - Includes bibliographical references (p. 519-531) and indexes; Cover; Half-title; Title; Copyright; Contents; Preface to the first edition; Preface to the second edition; About the software; 1 Introduction; 2 Basic molecular dynamics; 3 Simulating simple systems; 4 Equilibrium properties of simple fluids; 5 Dynamical properties of simple fluids; 6 Alternative ensembles; 7 Nonequilibrium dynamics; 8 Rigid molecules; 9 Flexible molecules; 10 Geometrically constrained molecules; 11 Internal coordinates; 12 Many-body interactions; 13 Long-range interactions; 14 Step potentials; 15 Time-dependent phenomena; 16 Granular dynamics 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. The second edition of the book includes a substantial amount of new material as well as completely rewritten software UR - http://www.loc.gov/catdir/description/cam051/2004555409.html UR - http://www.loc.gov/catdir/toc/fy045/2004555409.html ER -