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Molecular Modeling Techniques In Material Sciences

Molecular Modeling Techniques In Material Sciences

Hardcover

Technology & EngineeringChemistry

ISBN10: 0824724194
ISBN13: 9780824724191
Publisher: CRC Press
Published: Mar 1 2005
Pages: 328
Weight: 1.30
Height: 0.82 Width: 6.32 Depth: 9.58
Language: English
This book explores the use of molecular modeling and simulation for designing application-specific materials that withstand real process conditions. The authors develop a framework for identifying objectives, defining design parameters, and other requirements for planning a modeling project. They present key information on how to handle different materials, including oxides, superconductors, semiconductors, zeolites, glass, and nanomaterials. They further integrate proven methods and computation tools, new advances in theoretical techniques and numerical algorithms, and techniques expected to become generally available in the near future.

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