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| Version 2011-2012 |
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| CHIM0625-1 | Molecular mechanics and molecular dynamics
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| Duration : | 10h Th, 10h Pr |
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| Number of credits : |
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| Lecturer : | Dominique Dehareng |
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Language(s) of instruction :
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| French language |
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Course contents :
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- Conformational search and geometry optimization (nuclear coordinates, potential energy of the nuclei, stationary points).
- Molecular mechanics (force field).
- Molecular dynamics (temperature, pressure, constraints).
- Monte Carlo sampling.
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Learning outcomes of the course :
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| The aim is to provide the student with the more used techniques in molecular modelling of the large-sized systems (macromolecules). |
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Prerequisites and co-requisites/ Recommended optional programme components :
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| Basic Physics and Chemistry. |
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Planned learning activities and teaching methods :
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| Computer-assisted modelling. |
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Mode of delivery (face-to-face ; distance-learning) :
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| Contact the teacher. |
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Recommended or required readings :
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| Available from the teacher. |
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Assessment methods and criteria :
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| Personal homework. |
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Work placement(s) :
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Organizational remarks :
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Contacts :
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| email: d.dehareng@ulg.ac.be Tel: 04 3663499 |
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