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Industrial Applications of Molecular Simulations
Engelsk Paperback
SPAR
kr 98
Industrial Applications of Molecular Simulations
Engelsk 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


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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


Produktdetaljer
Sprog: Engelsk
Sider: 421
ISBN-13: 9780367382117
Indbinding: Paperback
Udgave:
ISBN-10: 0367382113
Kategori: Fysisk kemi
Udg. Dato: 18 okt 2019
Længde: 0mm
Bredde: 234mm
Højde: 156mm
Oplagsdato: 18 okt 2019
Forfatter(e):
Forfatter(e)


Kategori Fysisk kemi


Sprog Engelsk


Indbinding Paperback


Sider 421


Udgave


Længde 0mm


Bredde 234mm


Højde 156mm

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System.Threading.Tasks.Task`1[System.Threading.Tasks.VoidTaskResult];