Since the first edition only five years ago, the simulation world has changed significantly — current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on:

• Transition path sampling and diffusive barrier crossing to simulaterare events
• Dissipative particle dynamic as a course—grained simulation technique
• Novel schemes to compute the long—ranged forces
• Hamiltonian and non—Hamiltonian dynamics in the context constant—temperature and constant—pressure molecular dynamics simulations
• Multiple—time step algorithms as an alternative for constraints
• Defects in solids
• The pruned—enriched Rosenbluth sampling, recoil—growth, and concerted rotations for complex molecules
• Parallel tempering for glassy Hamiltonians

Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.