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

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

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

Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying