Nanomaterials: Design and Simulation: Volume 18 (Hardcover) (ISBN-13: 9780444528261)

Over the past few decades, several approaches have been developed for designing nano-structured or molecularly-structured materials. These advances have revolutionized practically all fields of science and engineering, providing an additional design variable, the feature size of the nano-structures, which can be tailored to provide new materials with very special characteristics. Nanomaterials: Design and Simulation explores the role that such advances have made toward a rational design of nanostructures and covers a variety of methods from ab initio electronic structure techniques, ab initio molecular dynamics, to classical molecular dynamics, also being complemented by coarse-graining and continuum methods. Also included is an overview of how the development of these computational tools has enabled the possibility of exploring nanoscopic details and using such information for the prediction of physical and chemical properties that are not always possible to be obtained experimentally.

Author: Perla Balbuena
ISBN-10: 0444528261
ISBN-13: 9780444528261
Publisher: Elsevier Science
Language: English
Published: 12/01/2006
Pages: 328
Format: Hardcover
Weight: 1.65lbs
Size: 9.52h x 6.88w x 0.77d