Computational Methods For Macromolecules Challenges And Applications

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Computational Methods for Macromolecules

Author : Tamar Schlick,Hin H Gan
Publisher : Springer
Page : 522 pages
File Size : 49,9 Mb
Release : 2011-04-27
Category : Electronic
ISBN : 3642560814

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Computational Methods for Macromolecules by Tamar Schlick,Hin H Gan Pdf

Computational Methods for Macromolecules: Challenges and Applications

Author : Tamar Schlick,Hin H. Gan
Publisher : Springer Science & Business Media
Page : 504 pages
File Size : 53,9 Mb
Release : 2012-12-06
Category : Mathematics
ISBN : 9783642560804

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Computational Methods for Macromolecules: Challenges and Applications by Tamar Schlick,Hin H. Gan Pdf

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.

Computational Methods for Macromolecules: Challenges and Applications

Author : Tamar Schlick,Hin Hark Gan
Publisher : Springer Science & Business Media
Page : 526 pages
File Size : 42,5 Mb
Release : 2002-08-06
Category : Mathematics
ISBN : 3540437568

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Computational Methods for Macromolecules: Challenges and Applications by Tamar Schlick,Hin Hark Gan Pdf

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,Kent-Andre Mardal
Publisher : Springer Nature
Page : 395 pages
File Size : 51,8 Mb
Release : 2019-09-26
Category : Mathematics
ISBN : 9783030237882

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Introduction to Numerical Methods for Variational Problems by Hans Petter Langtangen,Kent-Andre Mardal Pdf

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
Page : 272 pages
File Size : 48,5 Mb
Release : 2006-01-20
Category : Mathematics
ISBN : 9783540285021

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Numerical Methods for General and Structured Eigenvalue Problems by Daniel Kressner Pdf

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
Page : 336 pages
File Size : 47,8 Mb
Release : 2008-08-09
Category : Science
ISBN : 9783540773627

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Computational Methods in Transport: Verification and Validation by Frank Graziani Pdf

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,Franco Brezzi,Andrea Cangiani,Emmanuil H. Georgoulis
Publisher : Springer
Page : 433 pages
File Size : 41,5 Mb
Release : 2016-10-03
Category : Computers
ISBN : 9783319416403

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Building Bridges: Connections and Challenges in Modern Approaches to Numerical Partial Differential Equations by Gabriel R. Barrenechea,Franco Brezzi,Andrea Cangiani,Emmanuil H. Georgoulis Pdf

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.

Geometrically Unfitted Finite Element Methods and Applications

Author : Stéphane P. A. Bordas,Erik Burman,Mats G. Larson,Maxim A. Olshanskii
Publisher : Springer
Page : 361 pages
File Size : 44,7 Mb
Release : 2018-03-13
Category : Mathematics
ISBN : 9783319714318

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Geometrically Unfitted Finite Element Methods and Applications by Stéphane P. A. Bordas,Erik Burman,Mats G. Larson,Maxim A. Olshanskii Pdf

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 Methods for Flows

Author : Harald van Brummelen,Alessandro Corsini,Simona Perotto,Gianluigi Rozza
Publisher : Springer Nature
Page : 358 pages
File Size : 53,5 Mb
Release : 2020-02-22
Category : Mathematics
ISBN : 9783030307059

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Numerical Methods for Flows by Harald van Brummelen,Alessandro Corsini,Simona Perotto,Gianluigi Rozza Pdf

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.

Numerical Mathematics and Advanced Applications - ENUMATH 2013

Author : Assyr Abdulle,Simone Deparis,Daniel Kressner,Fabio Nobile,Marco Picasso
Publisher : Springer
Page : 810 pages
File Size : 49,6 Mb
Release : 2014-11-25
Category : Computers
ISBN : 9783319107059

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Numerical Mathematics and Advanced Applications - ENUMATH 2013 by Assyr Abdulle,Simone Deparis,Daniel Kressner,Fabio Nobile,Marco Picasso Pdf

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,Cornelis Vuik
Publisher : Springer Nature
Page : 1185 pages
File Size : 44,9 Mb
Release : 2021-04-30
Category : Mathematics
ISBN : 9783030558741

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Numerical Mathematics and Advanced Applications ENUMATH 2019 by Fred J. Vermolen,Cornelis Vuik Pdf

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).

Numerical Analysis of Multiscale Problems

Author : Ivan G. Graham,Thomas Y. Hou,Omar Lakkis,Robert Scheichl
Publisher : Springer Science & Business Media
Page : 376 pages
File Size : 51,9 Mb
Release : 2012-01-05
Category : Mathematics
ISBN : 9783642220616

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Numerical Analysis of Multiscale Problems by Ivan G. Graham,Thomas Y. Hou,Omar Lakkis,Robert Scheichl Pdf

The 91st London Mathematical Society Durham Symposium took place from July 5th to 15th 2010, with more than 100 international participants attending. The Symposium focused on Numerical Analysis of Multiscale Problems and this book contains 10 invited articles from some of the meeting's key speakers, covering a range of topics of contemporary interest in this area. Articles cover the analysis of forward and inverse PDE problems in heterogeneous media, high-frequency wave propagation, atomistic-continuum modeling and high-dimensional problems arising in modeling uncertainty. Novel upscaling and preconditioning techniques, as well as applications to turbulent multi-phase flow, and to problems of current interest in materials science are all addressed. As such this book presents the current state-of-the-art in the numerical analysis of multiscale problems and will be of interest to both practitioners and mathematicians working in those fields.

Isogeometric Analysis and Applications 2018

Author : Harald van Brummelen,Cornelis Vuik,Matthias Möller,Clemens Verhoosel,Bernd Simeon,Bert Jüttler
Publisher : Springer Nature
Page : 279 pages
File Size : 50,6 Mb
Release : 2021-01-13
Category : Mathematics
ISBN : 9783030498368

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Isogeometric Analysis and Applications 2018 by Harald van Brummelen,Cornelis Vuik,Matthias Möller,Clemens Verhoosel,Bernd Simeon,Bert Jüttler Pdf

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.

Frontiers and Challenges in Warm Dense Matter

Author : Frank Graziani,Michael P. Desjarlais,Ronald Redmer,Samuel B. Trickey
Publisher : Springer Science & Business
Page : 294 pages
File Size : 54,8 Mb
Release : 2014-04-28
Category : Computers
ISBN : 9783319049120

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Frontiers and Challenges in Warm Dense Matter by Frank Graziani,Michael P. Desjarlais,Ronald Redmer,Samuel B. Trickey Pdf

Warm Dense Matter (WDM) occupies a loosely defined region of phase space intermediate between solid, liquid, gas, and plasma, and typically shares characteristics of two or more of these phases. WDM is generally associated with the combination of strongly coupled ions and moderately degenerate electrons, and careful attention to quantum physics and electronic structure is essential. The lack of a small perturbation parameter greatly limits approximate attempts at its accurate description. Since WDM resides at the intersection of solid state and high energy density physics, many high energy density physics (HEDP) experiments pass through this difficult region of phase space. Thus, understanding and modeling WDM is key to the success of experiments on diverse facilities. These include the National Ignition Campaign centered on the National Ignition Facility (NIF), pulsed-power driven experiments on the Z machine, ion-beam-driven WDM experiments on the NDCX-II, and fundamental WDM research at the Linear Coherent Light Source (LCLS). Warm Dense Matter is also ubiquitous in planetary science and astrophysics, particularly with respect to unresolved questions concerning the structure and age of the gas giants, the nature of exosolar planets, and the cosmochronology of white dwarf stars. In this book we explore established and promising approaches to the modeling of WDM, foundational issues concerning the correct theoretical description of WDM, and the challenging practical issues of numerically modeling strongly coupled systems with many degrees of freedom.

Isogeometric Analysis and Applications 2014

Author : Bert Jüttler,Bernd Simeon
Publisher : Springer
Page : 290 pages
File Size : 50,5 Mb
Release : 2015-12-21
Category : Mathematics
ISBN : 9783319233154

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Isogeometric Analysis and Applications 2014 by Bert Jüttler,Bernd Simeon Pdf

Isogeometric Analysis is a groundbreaking computational approach that promises the possibility of integrating the finite element method into conventional spline-based CAD design tools. It thus bridges the gap between numerical analysis and geometry, and moreover it allows to tackle new cutting edge applications at the frontiers of research in science and engineering. This proceedings volume contains a selection of outstanding research papers presented at the second International Workshop on Isogeometric Analysis and Applications, held at Annweiler, Germany, in April 2014.