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Computational Methods for Macromolecules: Challenges and Applications

Author: Tamar Schlick

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 504

ISBN-13: 3642560806

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This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.

Book Synopsis Computational Methods for Macromolecules: Challenges and Applications by : Tamar Schlick

Download or read book Computational Methods for Macromolecules: Challenges and Applications written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.

Introduction to Numerical Methods for Variational Problems

Author: Hans Petter Langtangen

Publisher: Springer Nature

Published: 2019-09-26

Total Pages: 395

ISBN-13: 3030237885

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This textbook teaches finite element methods from a computational point of view. It focuses on how to develop flexible computer programs with Python, a programming language in which a combination of symbolic and numerical tools is used to achieve an explicit and practical derivation of finite element algorithms. The finite element library FEniCS is used throughout the book, but the content is provided in sufficient detail to ensure that students with less mathematical background or mixed programming-language experience will equally benefit. All program examples are available on the Internet.

Book Synopsis Introduction to Numerical Methods for Variational Problems by : Hans Petter Langtangen

Download or read book Introduction to Numerical Methods for Variational Problems written by Hans Petter Langtangen and published by Springer Nature. This book was released on 2019-09-26 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook teaches finite element methods from a computational point of view. It focuses on how to develop flexible computer programs with Python, a programming language in which a combination of symbolic and numerical tools is used to achieve an explicit and practical derivation of finite element algorithms. The finite element library FEniCS is used throughout the book, but the content is provided in sufficient detail to ensure that students with less mathematical background or mixed programming-language experience will equally benefit. All program examples are available on the Internet.

Numerical Methods for General and Structured Eigenvalue Problems

Author: Daniel Kressner

Publisher: Springer Science & Business Media

Published: 2006-01-20

Total Pages: 272

ISBN-13: 3540285024

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This book is about computing eigenvalues, eigenvectors, and invariant subspaces of matrices. Treatment includes generalized and structured eigenvalue problems and all vital aspects of eigenvalue computations. A unique feature is the detailed treatment of structured eigenvalue problems, providing insight on accuracy and efficiency gains to be expected from algorithms that take the structure of a matrix into account.

Book Synopsis Numerical Methods for General and Structured Eigenvalue Problems by : Daniel Kressner

Download or read book Numerical Methods for General and Structured Eigenvalue Problems written by Daniel Kressner and published by Springer Science & Business Media. This book was released on 2006-01-20 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is about computing eigenvalues, eigenvectors, and invariant subspaces of matrices. Treatment includes generalized and structured eigenvalue problems and all vital aspects of eigenvalue computations. A unique feature is the detailed treatment of structured eigenvalue problems, providing insight on accuracy and efficiency gains to be expected from algorithms that take the structure of a matrix into account.

Computational Methods in Transport: Verification and Validation

Author: Frank Graziani

Publisher: Springer Science & Business Media

Published: 2008-08-09

Total Pages: 336

ISBN-13: 3540773622

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The focus of this book deals with a cross cutting issue affecting all transport disciplines, whether it be photon, neutron, charged particle or neutrino transport. That is, verification and validation. In this book, we learn what the astrophysicist, atmospheric scientist, mathematician or nuclear engineer do to assess the accuracy of their code. What convergence studies, what error analysis, what problems do each field use to ascertain the accuracy of their transport simulations.

Book Synopsis Computational Methods in Transport: Verification and Validation by : Frank Graziani

Download or read book Computational Methods in Transport: Verification and Validation written by Frank Graziani and published by Springer Science & Business Media. This book was released on 2008-08-09 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this book deals with a cross cutting issue affecting all transport disciplines, whether it be photon, neutron, charged particle or neutrino transport. That is, verification and validation. In this book, we learn what the astrophysicist, atmospheric scientist, mathematician or nuclear engineer do to assess the accuracy of their code. What convergence studies, what error analysis, what problems do each field use to ascertain the accuracy of their transport simulations.

Building Bridges: Connections and Challenges in Modern Approaches to Numerical Partial Differential Equations

Author: Gabriel R. Barrenechea

Publisher: Springer

Published: 2016-10-03

Total Pages: 433

ISBN-13: 3319416405

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This volume contains contributed survey papers from the main speakers at the LMS/EPSRC Symposium “Building bridges: connections and challenges in modern approaches to numerical partial differential equations”. This meeting took place in July 8-16, 2014, and its main purpose was to gather specialists in emerging areas of numerical PDEs, and explore the connections between the different approaches. The type of contributions ranges from the theoretical foundations of these new techniques, to the applications of them, to new general frameworks and unified approaches that can cover one, or more than one, of these emerging techniques.

Book Synopsis Building Bridges: Connections and Challenges in Modern Approaches to Numerical Partial Differential Equations by : Gabriel R. Barrenechea

Download or read book Building Bridges: Connections and Challenges in Modern Approaches to Numerical Partial Differential Equations written by Gabriel R. Barrenechea and published by Springer. This book was released on 2016-10-03 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains contributed survey papers from the main speakers at the LMS/EPSRC Symposium “Building bridges: connections and challenges in modern approaches to numerical partial differential equations”. This meeting took place in July 8-16, 2014, and its main purpose was to gather specialists in emerging areas of numerical PDEs, and explore the connections between the different approaches. The type of contributions ranges from the theoretical foundations of these new techniques, to the applications of them, to new general frameworks and unified approaches that can cover one, or more than one, of these emerging techniques.

Numerical Methods for Flows

Author: Harald van Brummelen

Publisher: Springer Nature

Published: 2020-02-22

Total Pages: 358

ISBN-13: 3030307050

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This book includes selected contributions on applied mathematics, numerical analysis, numerical simulation and scientific computing related to fluid mechanics problems, presented at the FEF-“Finite Element for Flows” conference, held in Rome in spring 2017. Written by leading international experts and covering state-of-the-art topics in numerical simulation for flows, it provides fascinating insights into and perspectives on current and future methodological and numerical developments in computational science. As such, the book is a valuable resource for researchers, as well as Masters and Ph.D students.

Book Synopsis Numerical Methods for Flows by : Harald van Brummelen

Download or read book Numerical Methods for Flows written by Harald van Brummelen and published by Springer Nature. This book was released on 2020-02-22 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book includes selected contributions on applied mathematics, numerical analysis, numerical simulation and scientific computing related to fluid mechanics problems, presented at the FEF-“Finite Element for Flows” conference, held in Rome in spring 2017. Written by leading international experts and covering state-of-the-art topics in numerical simulation for flows, it provides fascinating insights into and perspectives on current and future methodological and numerical developments in computational science. As such, the book is a valuable resource for researchers, as well as Masters and Ph.D students.

Geometrically Unfitted Finite Element Methods and Applications

Author: Stéphane P. A. Bordas

Publisher: Springer

Published: 2018-03-13

Total Pages: 361

ISBN-13: 3319714317

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This book provides a snapshot of the state of the art of the rapidly evolving field of integration of geometric data in finite element computations. The contributions to this volume, based on research presented at the UCL workshop on the topic in January 2016, include three review papers on core topics such as fictitious domain methods for elasticity, trace finite element methods for partial differential equations defined on surfaces, and Nitsche’s method for contact problems. Five chapters present original research articles on related theoretical topics, including Lagrange multiplier methods, interface problems, bulk-surface coupling, and approximation of partial differential equations on moving domains. Finally, two chapters discuss advanced applications such as crack propagation or flow in fractured poroelastic media. This is the first volume that provides a comprehensive overview of the field of unfitted finite element methods, including recent techniques such as cutFEM, traceFEM, ghost penalty, and augmented Lagrangian techniques. It is aimed at researchers in applied mathematics, scientific computing or computational engineering.

Book Synopsis Geometrically Unfitted Finite Element Methods and Applications by : Stéphane P. A. Bordas

Download or read book Geometrically Unfitted Finite Element Methods and Applications written by Stéphane P. A. Bordas and published by Springer. This book was released on 2018-03-13 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a snapshot of the state of the art of the rapidly evolving field of integration of geometric data in finite element computations. The contributions to this volume, based on research presented at the UCL workshop on the topic in January 2016, include three review papers on core topics such as fictitious domain methods for elasticity, trace finite element methods for partial differential equations defined on surfaces, and Nitsche’s method for contact problems. Five chapters present original research articles on related theoretical topics, including Lagrange multiplier methods, interface problems, bulk-surface coupling, and approximation of partial differential equations on moving domains. Finally, two chapters discuss advanced applications such as crack propagation or flow in fractured poroelastic media. This is the first volume that provides a comprehensive overview of the field of unfitted finite element methods, including recent techniques such as cutFEM, traceFEM, ghost penalty, and augmented Lagrangian techniques. It is aimed at researchers in applied mathematics, scientific computing or computational engineering.

Numerical Mathematics and Advanced Applications - ENUMATH 2013

Author: Assyr Abdulle

Publisher: Springer

Published: 2014-11-25

Total Pages: 810

ISBN-13: 3319107054

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This book gathers a selection of invited and contributed lectures from the European Conference on Numerical Mathematics and Advanced Applications (ENUMATH) held in Lausanne, Switzerland, August 26-30, 2013. It provides an overview of recent developments in numerical analysis, computational mathematics and applications from leading experts in the field. New results on finite element methods, multiscale methods, numerical linear algebra and discretization techniques for fluid mechanics and optics are presented. As such, the book offers a valuable resource for a wide range of readers looking for a state-of-the-art overview of advanced techniques, algorithms and results in numerical mathematics and scientific computing.

Book Synopsis Numerical Mathematics and Advanced Applications - ENUMATH 2013 by : Assyr Abdulle

Download or read book Numerical Mathematics and Advanced Applications - ENUMATH 2013 written by Assyr Abdulle and published by Springer. This book was released on 2014-11-25 with total page 810 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gathers a selection of invited and contributed lectures from the European Conference on Numerical Mathematics and Advanced Applications (ENUMATH) held in Lausanne, Switzerland, August 26-30, 2013. It provides an overview of recent developments in numerical analysis, computational mathematics and applications from leading experts in the field. New results on finite element methods, multiscale methods, numerical linear algebra and discretization techniques for fluid mechanics and optics are presented. As such, the book offers a valuable resource for a wide range of readers looking for a state-of-the-art overview of advanced techniques, algorithms and results in numerical mathematics and scientific computing.

Numerical Mathematics and Advanced Applications ENUMATH 2019

Author: Fred J. Vermolen

Publisher: Springer Nature

Published: 2021-04-30

Total Pages: 1185

ISBN-13: 3030558746

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This book gathers outstanding papers presented at the European Conference on Numerical Mathematics and Advanced Applications (ENUMATH 2019). The conference was organized by Delft University of Technology and was held in Egmond aan Zee, the Netherlands, from September 30 to October 4, 2019. Leading experts in the field presented the latest results and ideas regarding the design, implementation and analysis of numerical algorithms, as well as their applications to relevant societal problems. ENUMATH is a series of conferences held every two years to provide a forum for discussing basic aspects and new trends in numerical mathematics and scientific and industrial applications, all examined at the highest level of international expertise. The first ENUMATH was held in Paris in 1995, with successive installments at various sites across Europe, including Heidelberg (1997), Jyvaskyla (1999), lschia Porto (2001), Prague (2003), Santiago de Compostela (2005), Graz (2007), Uppsala (2009), Leicester (2011), Lausanne (2013), Ankara (2015) and Bergen (2017).

Book Synopsis Numerical Mathematics and Advanced Applications ENUMATH 2019 by : Fred J. Vermolen

Download or read book Numerical Mathematics and Advanced Applications ENUMATH 2019 written by Fred J. Vermolen and published by Springer Nature. This book was released on 2021-04-30 with total page 1185 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gathers outstanding papers presented at the European Conference on Numerical Mathematics and Advanced Applications (ENUMATH 2019). The conference was organized by Delft University of Technology and was held in Egmond aan Zee, the Netherlands, from September 30 to October 4, 2019. Leading experts in the field presented the latest results and ideas regarding the design, implementation and analysis of numerical algorithms, as well as their applications to relevant societal problems. ENUMATH is a series of conferences held every two years to provide a forum for discussing basic aspects and new trends in numerical mathematics and scientific and industrial applications, all examined at the highest level of international expertise. The first ENUMATH was held in Paris in 1995, with successive installments at various sites across Europe, including Heidelberg (1997), Jyvaskyla (1999), lschia Porto (2001), Prague (2003), Santiago de Compostela (2005), Graz (2007), Uppsala (2009), Leicester (2011), Lausanne (2013), Ankara (2015) and Bergen (2017).

Isogeometric Analysis and Applications 2018

Author: Harald van Brummelen

Publisher: Springer Nature

Published: 2021-01-13

Total Pages: 279

ISBN-13: 3030498360

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This proceedings volume gathers a selection of outstanding research papers presented at the third Conference on Isogeometric Analysis and Applications, held in Delft, The Netherlands, in April 2018. This conference series, previously held in Linz, Austria, in 2012 and Annweiler am Trifels, Germany, in 2014, has created an international forum for interaction between scientists and practitioners working in this rapidly developing field. Isogeometric analysis is a groundbreaking computational approach that aims to bridge the gap between numerical analysis and computational geometry modeling by integrating the finite element method and related numerical simulation techniques into the computer-aided design workflow, and vice versa. The methodology has matured over the last decade both in terms of our theoretical understanding, its mathematical foundation and the robustness and efficiency of its practical implementations. This development has enabled scientists and practitioners to tackle challenging new applications at the frontiers of research in science and engineering and attracted early adopters for this his novel computer-aided design and engineering technology in industry. The IGAA 2018 conference brought together experts on isogeometric analysis theory and application, share their insights into challenging industrial applications and to discuss the latest developments as well as the directions of future research and development that are required to make isogeometric analysis an established mainstream technology.

Book Synopsis Isogeometric Analysis and Applications 2018 by : Harald van Brummelen

Download or read book Isogeometric Analysis and Applications 2018 written by Harald van Brummelen and published by Springer Nature. This book was released on 2021-01-13 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: This proceedings volume gathers a selection of outstanding research papers presented at the third Conference on Isogeometric Analysis and Applications, held in Delft, The Netherlands, in April 2018. This conference series, previously held in Linz, Austria, in 2012 and Annweiler am Trifels, Germany, in 2014, has created an international forum for interaction between scientists and practitioners working in this rapidly developing field. Isogeometric analysis is a groundbreaking computational approach that aims to bridge the gap between numerical analysis and computational geometry modeling by integrating the finite element method and related numerical simulation techniques into the computer-aided design workflow, and vice versa. The methodology has matured over the last decade both in terms of our theoretical understanding, its mathematical foundation and the robustness and efficiency of its practical implementations. This development has enabled scientists and practitioners to tackle challenging new applications at the frontiers of research in science and engineering and attracted early adopters for this his novel computer-aided design and engineering technology in industry. The IGAA 2018 conference brought together experts on isogeometric analysis theory and application, share their insights into challenging industrial applications and to discuss the latest developments as well as the directions of future research and development that are required to make isogeometric analysis an established mainstream technology.