This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and m

This book is concerned with the prediction of thermodynamic and transport properties of gases and liquids. The prediction of such properties is essential for th

The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large incre

Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Com

Provides hands-on knowledge enabling students of and researchers in chemistry, biology, and engineering to perform molecular simulations This book introduces th