Increasingly useful in materials research and development, molecular modeling is a method that combines computational chemistry techniques with graphics visuali

Increasingly useful in materials research and development, molecular modeling is a method that combines computational chemistry techniques with graphics visuali

Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book consti

A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted t

This is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile,