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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Griebel, Michael, 1960-, Knapek, Stephan (Awdur), Zumbusch, Gerhard, 1968- (Awdur), Zumbusch, Gerhard (Awdur)
Fformat: Livre numérique
Iaith:Anglais
Cyhoeddwyd: Berlin, Heidelberg : Springer Berlin Heidelberg [20..].
Cham : Springer Nature
Cyfres:Texts in Computational Science and Engineering 5
Pynciau:
Mynediad Ar-lein:Accès sur la plateforme de l'éditeur
Accès sur la plateforme Istex
Accès Université d'Orléans
Accès INSA CVL
Nodyn: 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
Tabl Cynhwysion:
  • 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