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portada Nanomaterials: Design and Simulation (Theoretical and Computational Chemistry): Volume 18
Type
Physical Book
Publisher
Language
English
Format
Hardcover
ISBN13
9780444528261

Nanomaterials: Design and Simulation (Theoretical and Computational Chemistry): Volume 18

Balbuena Perla,Seminario Jorge M. (Author) · Elsevier, · Hardcover

Nanomaterials: Design and Simulation (Theoretical and Computational Chemistry): Volume 18 - Balbuena Perla,Seminario Jorge M.

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Synopsis "Nanomaterials: Design and Simulation (Theoretical and Computational Chemistry): Volume 18"

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.

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