| TFYA53 | Computational Physics, 6 ECTS credits. /Beräkningsfysik/ |
||
Prel. scheduled
hours: |
|||
|
Area of Education: Science Main field of studies: Physics, Applied Physics |
|||
| Advancement level
(G1, G2, A): A
|
|||
| 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 and ab-initio 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: (valid for students admitted to programmes within which the course is offered) Statistical Mechanics, Solid State Physics, Condensed Matter Physics, Quantum Mechanics, Introductory Materials Science, computer and programming literacy. The emphasis is 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. |
|||
| Organisation: Lectures & Computer Laborations |
|||
| Course contents: The course is concerned with the theory and application 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) techniques are introduced. Topics discussed include Monte Carlo integration, importance sampling, the Metropolis method, integration of equations of motion for many-body systems in MD, the Verlet algorithm and force calculation. MC and MD in various statistical ensembles, as well as analysis and visualisation techniques are also presented, with emphasis on their application to practical solutions of materials related problems. |
|||
| Course literature: Computer Simulation of Liquids, M.P. Allen & D. J. Tildesley, Oxford Science Publications (ISBN 0 â?" 19 â?" 855645 â?" 4). |
|||
| Examination: | |||
| Written assignement Laboratory work |
4 ECTS 2 ECTS |
||
Course language is English. Department offering the course: IFM. Director of Studies: Leif Johansson Examiner: Valeriu Chirita Link to the course homepage at the department Course Syllabus in Swedish |
|||
|
|
 |
|||||
| ||||||