Numerical Simulation in Molecular Dynamics
Griebel, Michael A.; Knapek, Stephan; Zumbusch, Gerhard
ISBN 10: 3642087760 ISBN 13: 9783642087769
Editorial: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, 2010
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Descripción
Descripción:
This book presents in detail the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. Series: Texts in Computational Science and Engineering. Num Pages: 488 pages, 137 black & white illustrations, 43 colour illustrations, 63 black & white tables, biogra. BIC Classification: PNR; UGK. Category: (P) Professional & Vocational. Dimension: 234 x 156 x 25. Weight in Grams: 741. . 2010. 1st ed. Softcover of orig. ed. 2007. Paperback. . . . . N° de ref. del artículo V9783642087769
Sinopsis:
Particle models play an important role in many applications in physics, chemistry and biology. These can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail the necessary numerical methods, the theoretical background and foundations and the techniques involved, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates such aspects as modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text goes on to offer detailed explanations of the different steps of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn step by step how to write programs capable of running successful experiments for molecular dynamics.
Críticas:
From the reviews:
“Authors’ aim for this book was to present the necessary numerical techniques of molecular dynamics in a compact form, to enable readers to write their own programs in the programming language C, implement these programs on parallel computers using MPI, and be motivated to repeat the presented numerical experiments ... . This goal has certainly been achieved and the book is strongly recommended both for individual study and as the basis for a graduate course for a wide range of computational mathematics and physics students.” (Sebastian Reich, SIAM Review, Vol. 52 (1), 2010)
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Detalles bibliográficos
Título: Numerical Simulation in Molecular Dynamics
Editorial: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Año de publicación: 2010
Encuadernación: Encuadernación de tapa blanda
Condición: New
Edición: 1ª Edición
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Numerical Simulation in Molecular Dynamics (Paperback)
Publicado por
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, Berlin, 2010
ISBN 10: 3642087760
ISBN 13: 9783642087769
Nuevo
Paperback
Original o primera edición
Librería: Grand Eagle Retail, Bensenville, IL, Estados Unidos de America
Calificación del vendedor: 5 de 5 estrellas
Paperback. Condición: new. Paperback. Particle models play an important role in many applications in physics, chemistry and biology. They can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail both the necessary numerical methods and techniques (linked-cell method, SPME-method, tree codes, multipole technique) and the theoretical background and foundations. It illustrates the aspects modelling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. Furthermore, detailed explanations are given to the different steps of numerical simulation, and code examples are provided. With the description of the algorithms and the presentation of the results of various simulations from the areas material science, nanotechnology, biochemistry and astrophysics, the reader of this book will be able to write his own programs for molecular dynamics step by step and to run successful experiments. With the description of the algorithms and the presentation of the results of various simulations from the areas material science, nanotechnology, biochemistry and astrophysics, the reader of this book will be able to write his own programs for molecular dynamics step by step and to run successful experiments. Shipping may be from multiple locations in the US or from the UK, depending on stock availability. Nº de ref. del artículo: 9783642087769
Cantidad disponible: 1 disponibles
Imagen de archivo
Numerical Simulation in Molecular Dynamics (Paperback)
Publicado por
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, Berlin, 2010
ISBN 10: 3642087760
ISBN 13: 9783642087769
Nuevo
Paperback
Original o primera edición
Librería: AussieBookSeller, Truganina, VIC, Australia
Calificación del vendedor: 5 de 5 estrellas
Paperback. Condición: new. Paperback. Particle models play an important role in many applications in physics, chemistry and biology. They can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail both the necessary numerical methods and techniques (linked-cell method, SPME-method, tree codes, multipole technique) and the theoretical background and foundations. It illustrates the aspects modelling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. Furthermore, detailed explanations are given to the different steps of numerical simulation, and code examples are provided. With the description of the algorithms and the presentation of the results of various simulations from the areas material science, nanotechnology, biochemistry and astrophysics, the reader of this book will be able to write his own programs for molecular dynamics step by step and to run successful experiments. With the description of the algorithms and the presentation of the results of various simulations from the areas material science, nanotechnology, biochemistry and astrophysics, the reader of this book will be able to write his own programs for molecular dynamics step by step and to run successful experiments. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability. Nº de ref. del artículo: 9783642087769
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