Description Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of Molecular simulation for materials science.
More importantly, such Understanding may greatly improve.
A wide variety of tools exist, so the choice of technique requires a good Understanding of the basic principles.
Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application.
Description Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of Molecular simulation for materials science