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

First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.

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

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

Molecular simulation is an emerging technology for determining the properties of many systems that are of interest to the oil and gas industry, and more general