Industrial Applications of Molecular Simulations
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Using successful case studies as a framework, this volume demonstrates the capability of molecular modeling to tackle problems of industrial relevance. The book presents a wide range of various modeling techniques, from ab initio methods to classical potentials and molecular dynamics. The text also explores a wide range of materials, from soft materials such as polymeric blends that are widely employed in the chemical industry to hard or inorganic materials such as glasses and alumina. Modelers and scientists interested in learning how modeling can help them will find this an ideal resource.
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
Get Industrial Applications of Molecular Simulations by at the best price and quality guaranteed only at Werezi Africa's largest book ecommerce store. The book was published by Taylor & Francis Inc and it has pages.
