Industrial Applications of Molecular Simulations (Paperback)

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 Kingdom
Release date:	October 2019
First published:	2012
Editors:	Marc Meunier
Dimensions:	234 x 156mm (L x W)
Format:	Paperback
Pages:	421
ISBN-13:	978-0-367-38211-7
Categories:	Books > Computing & IT > Applications of computing > Computer modelling & simulation Books > Science & Mathematics > Chemistry > Physical chemistry > General Books > Professional & Technical > Industrial chemistry & manufacturing technologies > Industrial chemistry > General Promotions
LSN:	0-367-38211-3
Barcode:	9780367382117

Is the information for this product incomplete, wrong or inappropriate? Let us know about it.

Does this product have an incorrect or missing image? Send us a new image.

Is this product missing categories? Add more categories.

Review This Product

No reviews yet - be the first to create one!