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...
Αποθηκεύτηκε σε:
| Κύριοι συγγραφείς: | , , , |
|---|---|
| Μορφή: | Livre numérique |
| Γλώσσα: | Anglais |
| Έκδοση: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Σειρά: | Texts in Computational Science and Engineering
5 |
| Θέματα: | |
| Διαθέσιμο Online: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Σημείωση: |
L'impression du document génère 471 p. Traduit de l'allemand : "Numerische Simulation in der Moleküldynamik : Numerik, Algorithmen, Parallelisierung, Anwendungen" Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Numerical simulation in molecular dynamics, numerics, algorithms, parallelization, applications, Michael Griebel, Stephan Knapek and Gerhard Zambusch, Berlin, Springer, 2007, 1 vol. (XI-470 p.), Texts in computational science and engineering, 978-3-540-68094-9 |
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| 084 | |a 65Y05. 2010 | ||
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| 100 | 1 | |a Griebel, Michael, |d 1960- | |
| 245 | 1 | 0 | |a Numerical simulation in molecular dynamics : |b numerics, algorithms, parallelization, applications |c Michael Griebel, Gerhard Zumbusch, Stephan Knapek. |
| 260 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg. | ||
| 260 | |a Cham : |b Springer Nature, |c [20..]. | ||
| 490 | 1 | |a Texts in Computational Science and Engineering |v 5 | |
| 500 | |a L'impression du document génère 471 p. | ||
| 500 | |a Traduit de l'allemand : "Numerische Simulation in der Moleküldynamik : Numerik, Algorithmen, Parallelisierung, Anwendungen" | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 504 | |a Bibliogr. Index | ||
| 505 | 1 | |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 | |
| 506 | |a Accès en ligne pour les établissements français bénéficiaires des licences nationales | ||
| 506 | |a Accès soumis à abonnement pour tout autre établissement | ||
| 506 | |a Conditions particulières de réutilisation pour les bénéficiaires des licences nationales. https://www.licencesnationales.fr/springer-nature-ebooks-contrat-licence-ln-2017 | ||
| 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 | |a Dynamique moléculaire |x Simulation par ordinateur | ||
| 700 | 1 | |a Knapek, Stephan. |4 aut | |
| 700 | 1 | |a Zumbusch, Gerhard, |d 1968- |4 aut | |
| 700 | 1 | |a Zumbusch, Gerhard. |4 aut | |
| 700 | 1 | |a Knapek, Stephan. |4 aut | |
| 776 | 0 | |0 128601477 |t Numerical simulation in molecular dynamics |o numerics, algorithms, parallelization, applications |f Michael Griebel, Stephan Knapek and Gerhard Zambusch |c Berlin |n Springer |d 2007 |p 1 vol. (XI-470 p.) |s Texts in computational science and engineering |z 978-3-540-68094-9 | |
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