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| TFYY46 | Computational Physics, 3 p (sw) /Beräkningsfysik/ Advancement level: D | |
| Aim: The course serves as an introduction to modern computational methods currently used in solid state physics, chemistry, biology and materials science. The main objective of the course is to present the principles underlying classical Monte Carlo and Molecular Dynamics simulations. These methods are nowadays used extensively in the quest for new, man-made materials, in a wide range of industrial sectors (biotechnology, automotive, semiconductors, coatings). Prerequisites: Compulsory courses in mathematics and physics at the Y-program and computer literacy (the emphasis will be on general algorithms, so no specific programming language is required).Course organization: Lectures & Computer LaborationsCourse content: The course is concerned with the theory and practice of computer simulation of many-body systems. Following a review of the principles of statistical mechanics underlying computer simulations, the Monte Carlo (MC) and Molecular Dynamics (MD) simulations techniques are introduced. Monte Carlo integration, importance sampling, the Metropolis method, isothermal-isobaric MC, grand canonical MC, integration of equations of motion for many-body systems in MD, the Verlet algorithm, force calculation, techniques for MD in various ensembles. Advanced simulation techniques, tricks of the trade, how to analyse results of computer simulations, visualisation techniques.Course literature: M. P. Allen and D. J. Tildesley: Computer Simulations of Liquids (Oxford University Press, 1998) | ||
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