De onderstaande informatie is op dit moment nog niet goedgekeurd en nog aan verandering onderhevig.
(Vakcode) Course ID
NWI-SM297
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(Studiepunten) Credits
3
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(Periode) Scheduled
tweede semester
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Teaching methods (Werkvormen)
- 24 hrs computer course
- 16 hrs lecture
- 4 hrs problem session
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Pre-requisites (Vereiste voorkennis)
Quantum mechanics 1 & 2, chemical bonding, and statistical thermodynamics
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Contents (Beschrijving)
The topic of this course is the different aspects of molecular modelling. The concepts behind different modelling software packages will be discussed. The focus will be to on classical methods. The following topics will be treated: - - Force fields- Electric charges
- - Monte Carlo methods- Molecular Dynamics
- - Optimization methods
- - Transition state location methods
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Examination (Tentaminering)
Three hour written exam and computer assignments.
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