| Responsible Department | Department of Basic Science and Environment | ||||||||||||||||||||||
| Course Dates | The course will be given upon adequate demand. Please contact the course responsible (Lars Hemmingsen, lhe@life.ku.dk) | ||||||||||||||||||||||
| Course Abstract | Three central topics may be covered, adapted to the interests of the participating students: 1) Thermodynamic description of equilibrium and nonequilibrium states with particular emphasis on solutions, solubility and solid-liquid interfaces, 2) The use of computational methods in chemistry (molecular modelling and quantun chemistry), 3) Basic and advanced spectroscopic techniques (UV-Vis/CD, IR/VCD, fluorescence, NMR, and PAC spectroscopy, including stopped flow experiments) | ||||||||||||||||||||||
| Course Registration | Please contact the course responsible (Lars Hemmingsen, lhe@life.ku.dk) | ||||||||||||||||||||||
| Deadline for Registration | Please contact the course responsible (Lars Hemmingsen, lhe@life.ku.dk) | ||||||||||||||||||||||
| Credits | 6 (ECTS) The number of ECTS-points depends on the size of the project (6 points for to tutorial part of the course, and up to an additional 6 points for the project). | ||||||||||||||||||||||
| Level of Course | PhD course | ||||||||||||||||||||||
| Language of Instruction | English | ||||||||||||||||||||||
| Course Content | |||||||||||||||||||||||
| As the course content is adapted to the students interest, the topics may vary from year to year. Topics covered fall within the three central fields: 1) Equilibrium and non-equilibrium thermodynamics with particular emphasis on solutions, solubility and solid-liquid interfaces covering e.g. relations between macroscopic and molecular properties, colloidal systems, macromolecules, mass transport and modelling of chemical systems. 2) Computational chemistry covering e.g. force fields, energy minimisation, molecular dymanics techniques, quantum chemical methods (Hartree-Fock based methods, density functional theory, hybrid quantum and molecular mechanical methods for large systems). 3) The basic theory of central spectroscopic techniques (vide supra), as well as hands on tutorials, applying the spectroscopic techniques to systems of interest of the students if possible. | |||||||||||||||||||||||
| Teaching and learning Methods | |||||||||||||||||||||||
| Weekly tutorials based on an advanced textbook and individual study activities including solving of assignments. Practical work on an agreed problem finished with a written report.The problem may be related to the candidate's Ph.D. research project. The number of ECTS-points depends on the size of the project (6 points for to tutorial part of the course, and up to an additional 6 points for the project). | |||||||||||||||||||||||
| Learning Outcome | |||||||||||||||||||||||
| The aim is that the students who pass the course are capable of carring out qualified scientific work within the fields thermodynamics, computational chemistry, and/or spectroscopy, depending on the selected topics. | |||||||||||||||||||||||
| Course Literature | |||||||||||||||||||||||
| E.g.: P. W. Atkins: Physical Chemistry, 6th ed. 1998, lecture notes, A. Leach: Molecular Modeling: Principles and applications, 2nd ed., 2001 | |||||||||||||||||||||||
| Course Coordinator | |||||||||||||||||||||||
| Lars Bo Stegeager Hemmingsen, lhe@life.ku.dk, Department of Basic Sciences and Environment, Phone: 353-32307 Hans Erik Lundager Madsen, helm@life.ku.dk, Department of Basic Sciences and Environment/Bioinorganic Chemistry, Phone: 353-32403 | |||||||||||||||||||||||
| Course Fee | |||||||||||||||||||||||
| Free of charge for Ph.D. students under the Open Market for Postgraduate Courses in Denmark and from NOVA-partners. | |||||||||||||||||||||||
| Type of Evaluation | |||||||||||||||||||||||
| Oral examination and evaluation of project report. | |||||||||||||||||||||||
| Work Load | |||||||||||||||||||||||
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