Prerequisites: Basic polymer chemistry, basic physical chemistry, basic analytical chemistry
Evaluation: Test and oral presentation
Total number of hours: 11.25h (2 ECTS)
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C209: Molecular modelisation of organic material
Main professor: Dr. Francois Maurel (University Paris Diderot, Paris 7)
Dr. Francois Maurel
http://www.itodys.univ-paris7.fr/fr/component/contact/contact/12-annuaire/13-professeur/19-maurel
Objectives: The intention of this course is to provide theoretical background and practical experience in performing molecular modelling using with applications in materials science.
This course is focused on learning theoretical and quantum chemical techniques to simulate the electronic structure and the reactivity of organic molecules. The lectures, problem-solving-sessions and practical exercises (labworks) cover both theoretical and practical aspects of modeling with quantum-chemical methods such as semi-empiric and ab initio methods.
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