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Numerical Simulation in Molecular Dynamics Numerics, Algorithms, Parallelization, Applications /
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...
| Clasificación: | Libro Electrónico |
|---|---|
| Autores principales: | , , |
| Autor Corporativo: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2007.
|
| Edición: | 1st ed. 2007. |
| Colección: | Texts in Computational Science and Engineering,
5 |
| Temas: | |
| Acceso en línea: | Texto Completo |
MARC
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| 001 | 978-3-540-68095-6 | ||
| 003 | DE-He213 | ||
| 005 | 20220116005052.0 | ||
| 007 | cr nn 008mamaa | ||
| 008 | 100301s2007 gw | s |||| 0|eng d | ||
| 020 | |a 9783540680956 |9 978-3-540-68095-6 | ||
| 024 | 7 | |a 10.1007/978-3-540-68095-6 |2 doi | |
| 050 | 4 | |a QD450-882 | |
| 072 | 7 | |a PNR |2 bicssc | |
| 072 | 7 | |a SCI013050 |2 bisacsh | |
| 072 | 7 | |a PNR |2 thema | |
| 082 | 0 | 4 | |a 541 |2 23 |
| 100 | 1 | |a Griebel, Michael. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 245 | 1 | 0 | |a Numerical Simulation in Molecular Dynamics |h [electronic resource] : |b Numerics, Algorithms, Parallelization, Applications / |c by Michael Griebel, Stephan Knapek, Gerhard Zumbusch. |
| 250 | |a 1st ed. 2007. | ||
| 264 | 1 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg : |b Imprint: Springer, |c 2007. | |
| 300 | |a XII, 476 p. 180 illus., 43 illus. in color. |b online resource. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 347 | |a text file |b PDF |2 rda | ||
| 490 | 1 | |a Texts in Computational Science and Engineering, |x 2197-179X ; |v 5 | |
| 505 | 0 | |a Computer Simulation - a Key Technology -- From the Schrödinger Equation to Molecular Dynamics -- The Linked Cell Method for Short-Range Potentials -- Parallelization -- Extensions to More Complex Potentials and Molecules -- Time Integration Methods -- Mesh-Based Methods for Long-Range Potentials -- Tree Algorithms for Long-Range Potentials -- Applications from Biochemistry and Biophysics -- Prospects. | |
| 520 | |a 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. | ||
| 650 | 0 | |a Physical chemistry. | |
| 650 | 0 | |a Computer simulation. | |
| 650 | 0 | |a Mathematics-Data processing. | |
| 650 | 0 | |a Numerical analysis. | |
| 650 | 0 | |a Chemometrics. | |
| 650 | 0 | |a Mathematical physics. | |
| 650 | 1 | 4 | |a Physical Chemistry. |
| 650 | 2 | 4 | |a Computer Modelling. |
| 650 | 2 | 4 | |a Computational Science and Engineering. |
| 650 | 2 | 4 | |a Numerical Analysis. |
| 650 | 2 | 4 | |a Mathematical Applications in Chemistry. |
| 650 | 2 | 4 | |a Theoretical, Mathematical and Computational Physics. |
| 700 | 1 | |a Knapek, Stephan. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 700 | 1 | |a Zumbusch, Gerhard. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 710 | 2 | |a SpringerLink (Online service) | |
| 773 | 0 | |t Springer Nature eBook | |
| 776 | 0 | 8 | |i Printed edition: |z 9783540833840 |
| 776 | 0 | 8 | |i Printed edition: |z 9783642087769 |
| 776 | 0 | 8 | |i Printed edition: |z 9783540680949 |
| 830 | 0 | |a Texts in Computational Science and Engineering, |x 2197-179X ; |v 5 | |
| 856 | 4 | 0 | |u https://doi.uam.elogim.com/10.1007/978-3-540-68095-6 |z Texto Completo |
| 912 | |a ZDB-2-SMA | ||
| 912 | |a ZDB-2-SXMS | ||
| 950 | |a Mathematics and Statistics (SpringerNature-11649) | ||
| 950 | |a Mathematics and Statistics (R0) (SpringerNature-43713) | ||