Molecular Modeling And Theory In Chemical Engineering
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Molecular Modeling And Theory In Chemical Engineering
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Author : James Wei
language : en
Publisher: Elsevier
Release Date : 2001-12-18
Molecular Modeling And Theory In Chemical Engineering written by James Wei and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-12-18 with Technology & Engineering categories.
In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.
Molecular Modeling And Theory In Chemical Engineering
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Author : Arup Chakraborty
language : en
Publisher:
Release Date : 2001
Molecular Modeling And Theory In Chemical Engineering written by Arup Chakraborty and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Science categories.
A useful reference for the practising engineer or material scientist This volume presents discussions of theoretical and computational methods as well as their applications to specific technologies such as catalysis, microstructured polymeric materials, biological materials, directed evolution of proteins, microelectronics processing, and combinatorial chemistry. This paperback serves as a handy, essential reference for the practicing chemical engineer, chemist, or materials scientist interested in learning about current capabilities of theory and computation in complementing experimental research aimed toward the design of new products. This paperback edition is adapted from the serial Advances in Chemical Engineering, Volume 28, 2001 ISBN: 0-12-008528-3.
Foundations Of Molecular Modeling And Simulation
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Author : Edward J. Maginn
language : en
Publisher: Springer Nature
Release Date : 2021-03-25
Foundations Of Molecular Modeling And Simulation written by Edward J. Maginn and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-25 with Science categories.
This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.
Applying Molecular And Materials Modeling
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Author : Phillip R. Westmoreland
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Applying Molecular And Materials Modeling written by Phillip R. Westmoreland and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-17 with Science categories.
Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
Computational Chemistry And Molecular Modeling
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Author : K. I. Ramachandran
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-06-13
Computational Chemistry And Molecular Modeling written by K. I. Ramachandran and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-06-13 with Science categories.
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Foundations Of Molecular Modeling And Simulation
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Author : Randall Q Snurr
language : en
Publisher: Springer
Release Date : 2016-06-01
Foundations Of Molecular Modeling And Simulation written by Randall Q Snurr and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-06-01 with Technology & Engineering categories.
This book is a collection of select proceedings of the FOMMS 2015 conference. FOMMS 2015 was the sixth triennial FOMMS conference showcasing applications of theory of computational quantum chemistry, molecular science, and engineering simulation. The theme of the 2015 meeting was on Molecular Modeling and the Materials Genome. This volume comprises chapters on many distinct applications of molecular modeling techniques. The content will be useful to researchers and students alike.
Variational Methods In Molecular Modeling
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Author : Jianzhong Wu
language : en
Publisher: Springer
Release Date : 2016-12-17
Variational Methods In Molecular Modeling written by Jianzhong Wu and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-12-17 with Science categories.
This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors. All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical understanding rather than on rigorous mathematical derivations, the content is accessible to graduate students and researchers in the broad areas of materials science and engineering, chemistry, chemical and biomolecular engineering, applied mathematics, condensed-matter physics, without specific training in theoretical physics or calculus of variations.
Foundations Of Molecular Modeling And Simulation
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Author : Peter T. Cummings
language : en
Publisher:
Release Date : 2001
Foundations Of Molecular Modeling And Simulation written by Peter T. Cummings and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Science categories.
Applying Molecular Simulation And Computational Chemistry
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Author :
language : en
Publisher:
Release Date : 2001
Applying Molecular Simulation And Computational Chemistry written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Chemical reactions categories.
Molecular Physical Chemistry For Engineers
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Author : John T. Yates
language : en
Publisher: University Science Books
Release Date : 2007-08-31
Molecular Physical Chemistry For Engineers written by John T. Yates and has been published by University Science Books this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-08-31 with Science categories.
Designed as a one-semester undergraduate course for engineers and materials scientists who need to understand physical chemistry, this book emphasises the behaviour of material from the molecular point of view.