![Für diesen Artikel ist leider kein Bild verfügbar.](/img/platzhalter480px.png)
The Art of Molecular Dynamics Simulation
2004
|
2nd Revised edition
Cambridge University Press (Verlag)
978-0-521-53275-4 (ISBN)
Cambridge University Press (Verlag)
978-0-521-53275-4 (ISBN)
- Titel wird leider nicht erscheinen
- Artikel merken
The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. The second edition of this book, first published in 2004, includes a substantial amount of new material as well as completely rewritten software.
The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this extremely broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.
The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this extremely broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.
1. Introduction; 2. Basic molecular dynamics; 3. Simulating simple systems; 4. Equilibrium properties of simple fluids; 5. Dynamical properties of simple fluids; 6. Alternative ensembles; 7. Nonequilibrium dynamics; 8. Rigid molecules; 9. Flexible molecules; 10. Geometrically constrained molecules; 11. Internal coordinates; 12. Many-body interactions; 13. Long-range interactions; 14. Step potentials; 15. Time-dependent phenomena; 16. Granular dynamics; 17. Algorithms for supercomputers; 18. More about software; 19. The future.
Erscheint lt. Verlag | 1.4.2004 |
---|---|
Zusatzinfo | Worked examples or Exercises; 23 Tables, unspecified; 4 Halftones, unspecified; 65 Line drawings, unspecified |
Verlagsort | Cambridge |
Sprache | englisch |
Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
Naturwissenschaften ► Physik / Astronomie ► Festkörperphysik | |
ISBN-10 | 0-521-53275-2 / 0521532752 |
ISBN-13 | 978-0-521-53275-4 / 9780521532754 |
Zustand | Neuware |
Haben Sie eine Frage zum Produkt? |
Mehr entdecken
aus dem Bereich
aus dem Bereich
Quantenmechanik | Spektroskopie | Statistische Thermodynamik
Buch | Softcover (2024)
De Gruyter (Verlag)
59,95 €
Thermodynamik | Kinetik | Elektrochemie
Buch | Softcover (2024)
De Gruyter (Verlag)
59,95 €
Set aus Lehrbuch und Arbeitsbuch
Buch | Hardcover (2022)
Wiley-VCH (Verlag)
109,00 €