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Computational Physics, 6 credits
Beräkningsfysik, 6 hp
TFYA53
Main field of study
Applied Physics PhysicsCourse level
Second cycleCourse type
Programme courseExaminer
Valeriu ChiritaDirector of studies or equivalent
Magnus JohanssonEducation components
Preliminary scheduled hours: 96 hRecommended self-study hours: 64 h
ECV = Elective / Compulsory / Voluntary
| Course offered for | Semester | Period | Timetable module | Language | Campus | ECV | N.B. | |
|---|---|---|---|---|---|---|---|---|
| 6MMSN | Materials Science and Nanotechnology, Master's programme | 3 (Autumn 2017) | 1 | 4 | English | Linköping, Valla | E | CANCELLED |
| 6MFYS | Physics and Nanoscience, Master's programme | 3 (Autumn 2017) | 1 | 4 | English | Linköping, Valla | E | CANCELLED |
| 6MFYS | Physics and Nanoscience, Master's programme (Teoretisk fysik) | 3 (Autumn 2017) | 1 | 4 | English | Linköping, Valla | E | CANCELLED |
Main field of study
Applied Physics, PhysicsCourse level
Second cycleAdvancement level
A1XCourse offered for
- Physics and Nanoscience, Master's programme
- Materials Science and Nanotechnology, Master's programme
Specific information
Overlap with TFYA50
Entry requirements
Note: Admission requirements for non-programme students usually also include admission requirements for the programme and threshold requirements for progression within the programme, or corresponding.
Prerequisites
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.Intended learning outcomes
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).
Course content
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.
Teaching and working methods
Lectures & Computer Laborations
Examination
| LAB1 | Laboratory work | 2 credits | U, G |
| UPG1 | Written assignement | 4 credits | U, 3, 4, 5 |
Grades
Four-grade scale, LiU, U, 3, 4, 5Department
Institutionen för fysik, kemi och biologiDirector of Studies or equivalent
Magnus JohanssonExaminer
Valeriu ChiritaCourse website and other links
http://www.ifm.liu.se/undergrad/fysikgtu/coursepage.html?selection=all&sort=kkEducation components
Preliminary scheduled hours: 96 hRecommended self-study hours: 64 h
Course literature
Additional literature
Books
- M.P. Allen & D. J. Tildesley, Computer Simulation of Liquids Oxford Science Publications
ISBN: ISBN 0-19-855645-4
| Code | Name | Scope | Grading scale |
|---|---|---|---|
| LAB1 | Laboratory work | 2 credits | U, G |
| UPG1 | Written assignement | 4 credits | U, 3, 4, 5 |
Regulations (apply to LiU in its entirety)
The university is a government agency whose operations are regulated by legislation and ordinances, which include the Higher Education Act and the Higher Education Ordinance. In addition to legislation and ordinances, operations are subject to several policy documents. The Linköping University rule book collects currently valid decisions of a regulatory nature taken by the university board, the vice-chancellor and faculty/department boards.
LiU’s rule book for education at first-cycle and second-cycle levels is available at http://styrdokument.liu.se/Regelsamling/Innehall/Utbildning_pa_grund-_och_avancerad_niva.
Additional literature
Books
M.P. Allen & D. J. Tildesley, Computer Simulation of Liquids Oxford Science Publications
ISBN: ISBN 0-19-855645-4
Note: The course matrix might contain more information in Swedish.
I = Introduce, U = Teach, A = Utilize
| I | U | A | Modules | Comment | ||
|---|---|---|---|---|---|---|
| 1. DISCIPLINARY KNOWLEDGE AND REASONING | ||||||
| 1.1 Knowledge of underlying mathematics and science (G1X level) |
|
|
X
|
|||
| 1.2 Fundamental engineering knowledge (G1X level) |
X
|
X
|
X
|
|||
| 1.3 Further knowledge, methods, and tools in one or several subjects in engineering or natural science (G2X level) |
|
X
|
X
|
UPG1
|
||
| 1.4 Advanced knowledge, methods, and tools in one or several subjects in engineering or natural sciences (A1X level) |
|
|
|
|||
| 1.5 Insight into current research and development work |
|
|
|
|||
| 2. PERSONAL AND PROFESSIONAL SKILLS AND ATTRIBUTES | ||||||
| 2.1 Analytical reasoning and problem solving |
|
X
|
X
|
LAB1
|
||
| 2.2 Experimentation, investigation, and knowledge discovery |
X
|
X
|
X
|
LAB1
|
||
| 2.3 System thinking |
|
X
|
|
UPG1
|
||
| 2.4 Attitudes, thought, and learning |
X
|
X
|
|
LAB1
|
||
| 2.5 Ethics, equity, and other responsibilities |
|
X
|
X
|
UPG1
|
||
| 3. INTERPERSONAL SKILLS: TEAMWORK AND COMMUNICATION | ||||||
| 3.1 Teamwork |
|
|
X
|
LAB1
|
||
| 3.2 Communications |
|
|
X
|
LAB1
|
||
| 3.3 Communication in foreign languages |
|
|
X
|
LAB1
|
||
| 4. CONCEIVING, DESIGNING, IMPLEMENTING AND OPERATING SYSTEMS IN THE ENTERPRISE, SOCIETAL AND ENVIRONMENTAL CONTEXT | ||||||
| 4.1 External, societal, and environmental context |
X
|
|
|
LAB1
|
||
| 4.2 Enterprise and business context |
X
|
X
|
|
LAB1
|
||
| 4.3 Conceiving, system engineering and management |
|
|
X
|
UPG1
|
||
| 4.4 Designing |
|
X
|
X
|
UPG1
|
||
| 4.5 Implementing |
|
X
|
X
|
LAB1
|
||
| 4.6 Operating |
|
X
|
X
|
UPG1
|
||
| 5. PLANNING, EXECUTION AND PRESENTATION OF RESEARCH DEVELOPMENT PROJECTS WITH RESPECT TO SCIENTIFIC AND SOCIETAL NEEDS AND REQUIREMENTS | ||||||
| 5.1 Societal conditions, including economic, social, and ecological aspects of sustainable development for knowledge development |
X
|
|
|
|||
| 5.2 Economic conditions for knowledge development |
|
|
|
|||
| 5.3 Identification of needs, structuring and planning of research or development projects |
|
|
X
|
UPG1
|
||
| 5.4 Execution of research or development projects |
X
|
X
|
|
UPG1
|
||
| 5.5 Presentation and evaluation of research or development projects |
|
|
X
|
UPG1
|
||
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