Duration
Partim A : 30h Th
Partim B : 20h Th
Number of credits
| Master in chemistry (120 ECTS) | 5 crédits | |||
| Master in chemistry (60 ECTS) (Registrations are closed) | 5 crédits |
Lecturer
Partim A : Bernard Leyh, Françoise Remacle
Partim B : Bernard Leyh, Françoise Remacle
Coordinator
Language(s) of instruction
English language
Organisation and examination
Teaching in the first semester, review in January
Schedule
Units courses prerequisite and corequisite
Prerequisite or corequisite units are presented within each program
Learning unit contents
Partim A
The course is devoted to the advanced methods of quantum chemistry that allow to investigate the properties of complex molecular systems and thier reactivity, including solvent effects.
The part on extended systems consists of four chapters.
1. Brief review of the principles of statistical thermodynamics: Maxwell-Boltzmann, Fermi-Dirac and Bose-Einstein statistics
2. Vibrational properties of crystalline solids (acoustic and optical phonons) and statistical calculation of the associated macroscopic properties
3. Electronic structure of crystalline solids (dispersion curves, density of states) and statistical calculation of the associated macroscopic properties
4. Conduction properties of materials
Partim B
The course is devoted to the advanced methods of quantum chemistry that allow to investigate the properties of complex molecular systems and thier reactivity, including solvent effects.
The part on extended systems consists of four chapters.
1. Brief review of the principles of statistical thermodynamics: Maxwell-Boltzmann, Fermi-Dirac and Bose-Einstein statistics
2. Vibrational properties of crystalline solids (acoustic and optical phonons) and statistical calculation of the associated macroscopic properties
3. Electronic structure of crystalline solids (dispersion curves, density of states) and statistical calculation of the associated macroscopic properties
4. Conduction properties of materials
Learning outcomes of the learning unit
Partim A
Be able to choose and to use advanced methods of quantum chemistry suitable to investigate the properties of complex systems such as the supramolecular complexes, metallic clusters and nanostructures, hybrid complexes metallic cluster - organic ligand.
Be able to interpret the macroscopic properties of materials based on the knowledge of the sub-microscocopic world, which is most familiar to chemists. The course aims therefore at giving the students the appropriate tools to understand material sciences.
Partim B
Be able to choose and to use advanced methods of quantum chemistry suitable to investigate the properties of complex systems such as the supramolecular complexes, metallic clusters and nanostructures, hybrid complexes metallic cluster - organic ligand.
Be able to interpret the macroscopic properties of materials based on the knowledge of the sub-microscocopic world, which is most familiar to chemists. The course aims therefore at giving the students the appropriate tools to understand material sciences.
Prerequisite knowledge and skills
Partim A
Basic notions of quantum chemistry
Thermodynamics and spectroscopy (bachelor level)
The course is based on physical and chemical concepts taught during the first three years (general physics, chemical thermodynamics, macroscopic physical chemistry, molecular physical chemistry). In mathematics, the knowledge of derivatives and integrals is required. The student is required to study again by him(her)self those topics that are no longer familiar to him or her.
Partim B
Basic notions of quantum chemistry
Thermodynamics and spectroscopy (bachelor level)
The course is based on physical and chemical concepts taught during the first three years (general physics, chemical thermodynamics, macroscopic physical chemistry, molecular physical chemistry). In mathematics, the knowledge of derivatives and integrals is required. The student is required to study again by him(her)self those topics that are no longer familiar to him or her.
Planned learning activities and teaching methods
Partim A
Theoretical course during the first quadrimester. Schedule available online: https://www.sciences.uliege.be/cms/c_4007918/fr/facsc-horaires
The course is taught in English.
Partim B
Theoretical course during the first quadrimester. Schedule available online: https://www.sciences.uliege.be/cms/c_4007918/fr/facsc-horaires
The course is taught in English.
Mode of delivery (face to face, distance learning, hybrid learning)
Blended learning
Partim A
Blended learning
Additional information:
first semester
Partim B
Blended learning
Additional information:
first semester
Recommended or required readings
Partim A
available
Partim B
available
Assessment methods and criteria
Exam(s) in session
Any session
- In-person
oral exam
Additional information:
See details in the different sections
Partim A
Exam(s) in session
Any session
- In-person
oral exam
Additional information:
Oral exam
To obtain a global grade of at least 8/20, it is required to reach at least 8/20 in both parts (F. Remacle, Quantum chemistry of complex molecular systems; B. Leyh, Extended systems, solid state) of the course.
Partim B
Exam(s) in session
Any session
- In-person
oral exam
Additional information:
Oral exam
To obtain a global grade of at least 8/20, it is required to reach at least 8/20 in both parts (F. Remacle, Quantum chemistry of complex molecular systems; B. Leyh, Extended systems, solid state) of the course.
Work placement(s)
Organizational remarks
Contacts
Partim A
Françoise Remacle
Chemistry Department, B6c
phone : 04 3662347
email : fremacle@ulg.ac.be
Bernard Leyh
Department of Chemistry, Building B6c (Office R77 and lab S48), B-4000 Liège 1 (Sart Tilman)
Phone: +32/(0)4/3663425 - E-mail : Bernard.Leyh@uliege.be
Partim B
Françoise Remacle
Chemistry Department, B6c
phone : 04 3662347
email : fremacle@ulg.ac.be
Bernard Leyh
Department of Chemistry, Building B6c (Office R77 and lab S48), B-4000 Liège 1 (Sart Tilman)
Phone: +32/(0)4/3663425 - E-mail : Bernard.Leyh@uliege.be