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Multiscale Simulation Methods for Nanomaterials
John Wiley and Sons Ltd, Jan 2008, Pages: 304
Molecular modelling, with greater accuracy than ever, allows for the fastest and most economical way of experimenting before creating a new product or material. While the scientific world has generally not solved the problem, methods have been developed which are proving feasible in solving specific problems or predicting specific phenomena or properties. Led by editors who have expertise in this area, Multiscale Simulation Methods for Materials explores the impact of using an arsenal of molecular modelling tools for various simulations in industrial settings.
It provides an overview of the available methods for providing atomistic simulation of a broad range of materials using our increased understanding of molecular scale, nanoscale, mesoscale, and macroscale phenomena. The strengths and weaknesses of the methods at hand are discussed within a context of real-world examples. Unlike other texts, this book focuses on the most cutting-edge area within computational chemistry and molecular modelling: macromolecular simulations of a range of materials, and is aimed more toward the chemistry and chemical engineering communities than any previously published titles in this area.
Authors bio:
Richard B. Ross, PhD, has been a member of 3M Company's Corporate Materials Modeling Group since 1997. Dr. Ross's research at 3M focuses on applying computational chemical modeling methods to a wide range of research applications. He has coauthored thirty-three scientific articles, including five book chapters, and coedited a symposium proceedings book.
Sanat Mohanty, PhD, is a research scientist at 3M Company's Corporate Research Lab, focusing on the development of materials by manipulating self-assemblies of small molecules. Dr. Mohanty has written more than a dozen peer-reviewed journal papers, three book chapters, plus a chapter in the Encyclopedia of Chemical Processing on mesoscale modeling and analysis.
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