| TFYY46 | Computational Physics, 4,5 ECTS credits. /Beräkningsfysik/ |
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OBS! |
Overlapping course contents: TFYY78. |
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Prel. scheduled
hours: 32 |
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Area of Education: Science Subject area: Physics |
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| Advancement level
(A-D): D
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| 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). |
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| Prerequisites: (valid for students admitted to programmes within which the course is offered) 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). Note: Admission requirements for non-programme students usually also include admission requirements for the programme and threshhold requirements for progression within the programme, or corresponding. |
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| Organisation: Lectures & Computer Laborations |
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| Course contents: 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. |
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| Course literature: M. P. Allen and D. J. Tildesley: Computer Simulations of Liquids (Oxford University Press, 1998) |
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| Examination: | |||
| Written examination Laboratory work |
2 p 1 p |
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Course language is Swedish. Department offering the course: IFM. Director of Studies: Leif Johansson Examiner: Valeriu Chirita Course Syllabus in Swedish |
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