Molecular Modeling And Simulation

Editors: Snurr, Randall Q, Adjiman, Claire S., Kofke, David A. (Eds.)
Covers key developments in the field of molecular modelling and simulation
Includes articles on interdisciplinary themes
Includes contributions from top experts in the field

This book evolved from an interdisciplinary graduate course entitled Molecular Modeling developed at New York University. Its primary goal is to stimulate excitement for molecular modeling research while introducing readers to the wide range of biomolecular problems being solved by computational techniques and to those computational tools.

This book provides an open platform from which to establish and share knowledge developed by scholars, scientists, and engineers from all over the world, about various applications of computer aided modeling and simulation in the design process of products in various engineering fields.

This book features state-of-the-art contributions in mathematical, experimental and numerical simulations in engineering sciences. Topics include metal micro-forming, compressible reactive flows, radio frequency circuits, barrier infrared detectors, fiber Bragg and long-period fiber gratings, semiconductor modelling, many-core architecture computers, laser processing of materials, alloy phase decomposition, nanofluids, geo-materials and rheo-kinetics.