Multiscale Simulation Methods for Nanomaterials

The latest molecular modeling tools for materials simulation This book stems from the proceedings of an American Chemical Society symposium, Large–Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap, which delved into the latest methodologies and applications for large–scale, multiscale, and mesoscale modeling and simulation. Collectively, the articles explore an arsenal of molecular modeling tools for simulations in academic and industrial settings. You get an overview of the methods for simulation of materials using the latest understanding of molecular scale, nanoscale, mesoscale, and macroscale phenomena. Practical in focus, the book explores the strengths and weaknesses of all the methods under discussion, helping you determine the most appropriate ones for your own simulation. The authors present real–world applications of simulated and synthesized materials, including organic–, inorganic–, bio–, and nanomaterials. You?ll...