Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems Band 25
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Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems Band 25
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Author : Philipp Nicolas Depta
language : en
Publisher: Cuvillier Verlag
Release Date : 2024-02-27
Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems Band 25 written by Philipp Nicolas Depta and has been published by Cuvillier Verlag this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-02-27 with categories.
In order to improve knowledge on macromolecular structural formation and self-assembly, this work proposes a physics-based and data-driven multiscale modeling framework capable of describing structural formation on micro-meter and milli-second scales near molecular-level precision. The framework abstracts macromolecules as anisotropic unit objects and models the interactions and environment using data-driven approaches. The models are parameterized in a bottom-up fashion and validated top-down by comparison with literature and collaborator data for self-assembly of three model system: alginate gelation, hepatitis B virus capsids, and the pyruvate dehydrogenase complex.
Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems
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Author : Philipp Nicolas Depta
language : en
Publisher:
Release Date : 2024
Physics Based And Data Driven Mulitiscale Modeling Of The Structural Formation In Macromolecular Systems written by Philipp Nicolas Depta and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024 with categories.
Design And Modeling For Computer Experiments
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Author : Kai-Tai Fang
language : en
Publisher: CRC Press
Release Date : 2005-10-14
Design And Modeling For Computer Experiments written by Kai-Tai Fang and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-10-14 with Mathematics categories.
Computer simulations based on mathematical models have become ubiquitous across the engineering disciplines and throughout the physical sciences. Successful use of a simulation model, however, requires careful interrogation of the model through systematic computer experiments. While specific theoretical/mathematical examinations of computer experim
Principles Of Multiscale Modeling
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Author : Weinan E
language : en
Publisher: Cambridge University Press
Release Date : 2011-07-07
Principles Of Multiscale Modeling written by Weinan E and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-07-07 with Mathematics categories.
A systematic discussion of the fundamental principles, written by a leading contributor to the field.
Molecular Modeling And Simulation
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Author : Tamar Schlick
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-18
Molecular Modeling And Simulation written by Tamar Schlick 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 2013-04-18 with Science categories.
Science is a way of looking, reverencing. And the purpose of all science, like living, which amounts to the same thing, is not the ac cumulation of gnostic power, the fixing of formulas for the name of God, the stockpiling of brutal efficiency, accomplishing the sadistic myth of progress. The purpose of science is to revive and cultivate a perpetual state of wonder. For nothing deserves wonder so much as our capacity to experience it. Roald Hoffman and Shira Leibowitz Schmidt, in Old Wine, New Flasks: Re. flections on Science and Jewish Tradition (W. H. Freeman, 1997). Challenges in Teaching Molecular Modeling This textbook evolved from a graduate course termed Molecular Modeling intro duced in the fall of 1996 at New York University. The primary goal of the course is to stimulate excitement for molecular modeling research - much in the spirit of Hoffman and Leibowitz Schmidt above - while providing grounding in the discipline. Such knowledge is valuable for research dealing with many practical problems in both the acadernic and industrial sectors, from developing treatments for AIDS (via inhibitors to the protease enzyme of the human imrnunodeficiency virus, HIV-1) to designing potatoes that yie1d spot-free potato chips (via trans genic potatoes with altered carbohydrate metabolism). In the course of writing xii Preface this text, the notes have expanded to function also as an introduction to the field for scientists in other disciplines by providing a global perspective into problems and approaches, rather than a comprehensive survey.
Computational Methods For Plasticity
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Author : Eduardo A. de Souza Neto
language : en
Publisher: John Wiley & Sons
Release Date : 2011-09-21
Computational Methods For Plasticity written by Eduardo A. de Souza Neto and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-09-21 with Science categories.
The subject of computational plasticity encapsulates the numerical methods used for the finite element simulation of the behaviour of a wide range of engineering materials considered to be plastic – i.e. those that undergo a permanent change of shape in response to an applied force. Computational Methods for Plasticity: Theory and Applications describes the theory of the associated numerical methods for the simulation of a wide range of plastic engineering materials; from the simplest infinitesimal plasticity theory to more complex damage mechanics and finite strain crystal plasticity models. It is split into three parts - basic concepts, small strains and large strains. Beginning with elementary theory and progressing to advanced, complex theory and computer implementation, it is suitable for use at both introductory and advanced levels. The book: Offers a self-contained text that allows the reader to learn computational plasticity theory and its implementation from one volume. Includes many numerical examples that illustrate the application of the methodologies described. Provides introductory material on related disciplines and procedures such as tensor analysis, continuum mechanics and finite elements for non-linear solid mechanics. Is accompanied by purpose-developed finite element software that illustrates many of the techniques discussed in the text, downloadable from the book’s companion website. This comprehensive text will appeal to postgraduate and graduate students of civil, mechanical, aerospace and materials engineering as well as applied mathematics and courses with computational mechanics components. It will also be of interest to research engineers, scientists and software developers working in the field of computational solid mechanics.
The Langevin Equation
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Author : William Coffey
language : en
Publisher: World Scientific
Release Date : 2004
The Langevin Equation written by William Coffey and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with Science categories.
This volume is the second edition of the first-ever elementary book on the Langevin equation method for the solution of problems involving the Brownian motion in a potential, with emphasis on modern applications in the natural sciences, electrical engineering and so on. It has been substantially enlarged to cover in a succinct manner a number of new topics, such as anomalous diffusion, continuous time random walks, stochastic resonance etc, which are of major current interest in view of the large number of disparate physical systems exhibiting these phenomena. The book has been written in such a way that all the material should be accessible to an advanced undergraduate or beginning graduate student. It draws together, in a coherent fashion, a variety of results which have hitherto been available only in the form of research papers or scattered review articles.
Protein Self Assembly
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Author : Jennifer J. McManus
language : en
Publisher: Humana
Release Date : 2020-08-08
Protein Self Assembly written by Jennifer J. McManus and has been published by Humana this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-08-08 with Science categories.
This volume explores experimental and computational approaches to measuring the most widely studied protein assemblies, including condensed liquid phases, aggregates, and crystals. The chapters in this book are organized into three parts: Part One looks at the techniques used to measure protein-protein interactions and equilibrium protein phases in dilute and concentrated protein solutions; Part Two describes methods to measure kinetics of aggregation and to characterize the assembled state; and Part Three details several different computational approaches that are currently used to help researchers understand protein self-assembly. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Thorough and cutting-edge, Protein Self-Assembly: Methods and Protocols is a valuable resource for researchers who are interested in learning more about this developing field.
Government Reports Announcements Index
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Author :
language : en
Publisher:
Release Date : 1995
Government Reports Announcements Index written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
Fundamentals Of Multiscale Modeling Of Structural Materials
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Author : Wenjie Xia
language : en
Publisher: Elsevier
Release Date : 2022-11-26
Fundamentals Of Multiscale Modeling Of Structural Materials written by Wenjie Xia and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-11-26 with Technology & Engineering categories.
Fundamentals of Multiscale Modeling of Structural Materials provides a robust introduction to the computational tools, underlying theory, practical applications, and governing physical phenomena necessary to simulate and understand a wide-range of structural materials at multiple time and length scales. The book offers practical guidelines for modeling common structural materials with well-established techniques, outlining detailed modeling approaches for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, thin films, and more.Computational approaches based on artificial intelligence and machine learning methods as complementary tools to the physics-based multiscale techniques are discussed as are modeling techniques for additively manufactured structural materials. Special attention is paid to how these methods can be used to develop the next generation of sustainable, resilient and environmentally-friendly structural materials, with a specific emphasis on bridging the atomistic and continuum modeling scales for these materials. - Synthesizes the latest cutting-edge computational multiscale modeling techniques for an array of structural materials - Emphasizes the foundations of the field and offers practical guidelines for modeling material systems with well-established techniques - Covers methods for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, and more - Highlights underlying theory, emerging areas, future directions and various applications of the modeling methods covered - Discusses the integration of multiscale modeling and artificial intelligence