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Industrial Applications of Molecular Simulations (Hardcover) Loot Price: R3,800
Discovery Miles 38 000
Industrial Applications of Molecular Simulations (Hardcover): Marc Meunier

Industrial Applications of Molecular Simulations (Hardcover)

Marc Meunier

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Loot Price R3,800 Discovery Miles 38 000 | Repayment Terms: R347 pm x 12*

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The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the future, the question remains as to how these methods can be further integrated into the R&D value chain, bridging the gap from engineering to manufacturing.

Using successful case studies as a framework, Industrial Applications of Molecular Simulations demonstrates the capability of molecular modeling to tackle problems of industrial relevance. This book presents a wide range of various modeling techniques, including methods based on quantum or classical mechanics, molecular dynamics, Monte Carlo simulations, etc. It also explores a wide range of materials, from soft materials such as polymeric blends widely used in the chemical industry to hard or inorganic materials such as glasses and alumina.

Features

  • Demonstrates how modeling can solve everyday problems for scientists in industry
  • Provides a broad overview of theoretical approaches
  • Presents a wide range of applications in areas such as materials research, catalysis, pharmaceutical development and electronics
  • Emphasizes the relationship between theory and experiments

General

Imprint: Crc Press
Country of origin: United States
Release date: November 2011
First published: 2011
Editors: Marc Meunier
Dimensions: 234 x 156 x 28mm (L x W x T)
Format: Hardcover
Pages: 421
ISBN-13: 978-1-4398-6101-1
Categories: Books > Science & Mathematics > Physics > States of matter > Condensed matter physics (liquids & solids)
Books > Science & Mathematics > Chemistry > Physical chemistry > General
Books > Professional & Technical > Industrial chemistry & manufacturing technologies > Industrial chemistry > General
LSN: 1-4398-6101-3
Barcode: 9781439861011

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