DTU
Uddannelse
Forrige side | Gældende version Arkiv 2000/2001 
 
21902 Molecular Modelling and Force Field development
Engelsk titel: Molecular Modelling and Force Field development
Sprog: dansk Point: 5,7
Type: kursus på phd-niveau, udbydes under åben uddannelse
Sprog: dansk

Vejledende placering: Sidst i studiet.
Undervisningsform: Lectures and practicals.
Evalueringsform Rapportaflevering
Karakter: bestået/ikke bestået
Bemærkninger: After the first 3 weeks students work individually or in groups of 2 or 3 on miniprojects approved by teacher. Broader-scope lectures and student seminars during second half of course. Reports submitted two weeks after course is finished.
Deadline 14. januar
Kontaktperson: Kjeld Rasmussen, bygn. 206, tlf. 4525 2402, email kjr@kemi.dtu.dk, http://struktur.kemi.dtu.dk/cff/cffhome.html

Institut: Institut for Kemi
Kursusindhold: The course provides insight into the concepts and techniques of Conformational Analysis by Molecular Mechanics: molecular potential energy functions, energy minimisation, normal coordinate analysis, statistical thermodynamics; molecular structures, vibrational spectra; optimization of energy parameters on experimental data from structural and spectroscopic sources and from ab initio computations. Students are trained in the use of the software CFF (Consistent Force Field) which is developed here. Other software which is available here may also be used according to needs and interests.