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

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

Printed Edition of the Special Issue Published in Entropy

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