Understanding Molecular Simulation: From Algorithms to Applications Frenkel Daan
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the recipes of molecular simulation for materials science. Since the first edition only five years ago,…
Specifikacia Understanding Molecular Simulation: From Algorithms to Applications Frenkel Daan
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the recipes of molecular simulation for materials science. Since the first edition only five years ago, the simulation world has changed significantly, and current techniques have matured, with new ones appearing. Sections focus on transition path sampling and diffusive barrier crossing to simulate rare 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, and more.Additional sections cover Defects in solids, The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex