Molecular Modeling And Simulation For Industrial Applications
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Molecular Modeling and Simulation for Industrial Applications
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Author | : Svetlana Miroshnichenko |
Publsiher | : Unknown |
Total Pages | : 135 |
Release | : 2016 |
Genre | : Electronic Book |
ISBN | : 3843928282 |
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Molecular Simulation and Industrial Applications
Author | : Keith E. Gubbins,Nick Quirke |
Publsiher | : Taylor & Francis |
Total Pages | : 568 |
Release | : 1996 |
Genre | : Molecules |
ISBN | : 9056990055 |
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First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.
Industrial Applications of Molecular Simulations
Author | : Marc Meunier |
Publsiher | : CRC Press |
Total Pages | : 413 |
Release | : 2016-04-19 |
Genre | : Science |
ISBN | : 9781439861028 |
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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 futu
Foundations of Molecular Modeling and Simulation
Author | : Edward J. Maginn,Jeffrey Errington |
Publsiher | : Springer Nature |
Total Pages | : 228 |
Release | : 2021-03-25 |
Genre | : Science |
ISBN | : 9789813366398 |
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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
Author | : Phillip Westmoreland,Peter A. Kollman,Anne M. Chaka,Peter T. Cummings,Keiji Morokuma,Matthew Neurock,Ellen B. Stechel,Priya Vashishta |
Publsiher | : Springer Science & Business Media |
Total Pages | : 58 |
Release | : 2002-10-31 |
Genre | : Science |
ISBN | : 1402009062 |
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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.
Molecular Modeling and Multiscaling Issues for Electronic Material Applications
Author | : Artur Wymyslowski,Nancy Iwamoto,Matthew Yuen,Haibo Fan |
Publsiher | : Springer |
Total Pages | : 203 |
Release | : 2014-11-20 |
Genre | : Technology & Engineering |
ISBN | : 9783319128627 |
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This book offers readers a snapshot of the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand materials to solve relevant issues in this field. The reader is introduced to the evolving role of molecular modeling, especially seen from the perspective of the IEEE community and modeling in electronics. This book also covers the aspects of molecular modeling needed to understand the relationship between structures and mechanical performance of materials. The authors also discuss the transitional topic of multiscale modeling and recent developments on the atomistic scale and current attempts to reach the submicron scale, as well as the role that quantum mechanics can play in performance prediction.
Molecular Modeling and Simulation
Author | : Tamar Schlick |
Publsiher | : Springer Science & Business Media |
Total Pages | : 669 |
Release | : 2013-04-18 |
Genre | : Science |
ISBN | : 9780387224640 |
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Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Chemical Applications of Molecular Modelling
Author | : Jonathan M. Goodman |
Publsiher | : Unknown |
Total Pages | : 244 |
Release | : 1998 |
Genre | : Science |
ISBN | : UOM:39015047731545 |
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This book explores the molecular modeling, enabling the nonspecialist to appreciate the power as well as the limitations of the computational tools available and giving a background to the methods used and how they were developed. It also provides examples of how molecular modeling has been used to address chemical questions commonly asked by the experimental chemist, and includes practical examples and case studies. 143 illus.