Classical and Quantum Methods of Molecular Simulations
| Language of instruction | angličtina, čeština |
|---|---|
| Code | 470-6405 |
| Abbreviation | KKMMS |
| Course title | Classical and Quantum Methods of Molecular Simulations |
| Coordinating department | Department of Applied Mathematics |
| Course coordinator | prof. RNDr. René Kalus, Ph.D. |
Anotace
Theoretical foundations and practical applications of Mote Carlo and molecular dynamics methods methods in classical and quantum statistical thermodynamics, quantum dynamics of molecules, and quantum chemistry.
Povinná literatura
[1] J. Grotendorst, D. Marx, A. (Eds.), Muramatsu, Quantum Simulations of Complex Systems: From Theory to Algorithms, Juelich, NIC Series vol. 10, 2002 (http://www2.fz-juelich.de/nic-series/volume10/volume10.html).
Doporučená literatura
[2] M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids, Oxford Univ. Press, Oxford 1987.
[3] B. L. Hammond, W. A. Lester, P. J. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry, World Scientific, London 1994.
[4] M. P. Nightingale, C. J. Umrigar, Quantum MC Methods in Physics and Chemistry, Kluwer, Dordrecht - London - Boston 1998.
[5] P. Fong, Elelmentary Quantum Mechanics, World Scientific Publishing Company, 2005.
[3] B. L. Hammond, W. A. Lester, P. J. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry, World Scientific, London 1994.
[4] M. P. Nightingale, C. J. Umrigar, Quantum MC Methods in Physics and Chemistry, Kluwer, Dordrecht - London - Boston 1998.
[5] P. Fong, Elelmentary Quantum Mechanics, World Scientific Publishing Company, 2005.