Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction

Advanced text on computer modelling in chemistry and physics.

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

The aim of this book volume is to explain the importance of Markov state models to molecular simulation, how they work, and how they can be applied to a range o

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