Understanding molecular simulation : from algorithms to applications
Daan Frenkel (Author), Berend Smit (Author)
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in
eBook, English, 2002
2nd ed
Academic Press, San Diego, 2002