Duration
25h Th
Number of credits
| Master in chemistry (120 ECTS) | 3 crédits | |||
| Master in chemistry (60 ECTS) | 3 crédits |
Lecturer
Language(s) of instruction
French language
Organisation and examination
Teaching in the second semester
Schedule
Units courses prerequisite and corequisite
Prerequisite or corequisite units are presented within each program
Learning unit contents
The course of molecular dynamics focuses on the temporal evolution of molecular systems triggered by external stimuli such as thermal or photo excitation. We will discuss the dynamics of various molecular systems (diatomics, organic chromophores, biomolecues and proteines) occurring on a wide range of timescales ranging from the attosecond (10^-18sec) to the microsecond. The course is composed of 6 chapters focusing on the theoretical and experimental methods used in molecular dynamics
1) Collision theory and transition state theory
2) Ground state Ab-initio molecular dynamics (Monte-Carlo, Born-Oppenheimer)
3) Excited state dynamics (surface-hopping)
4) Molecular dynamics and applications (drug design, protein folding)
5) Ultrafast processes part I : femtochemistry
6) Ultrafast processes part II : attochemistry
Learning outcomes of the learning unit
The aim of the course is to provide the tools to the students to understand and interpret current thermal and photochemical experiments.
Prerequisite knowledge and skills
Bachelor level of general and physical chemistry
Planned learning activities and teaching methods
Mode of delivery (face-to-face ; distance-learning)
This 30-hour course is taught in the second semester (15 classes of 2H; 30H in total)
Recommended or required readings
The slides of the lectures as well as reference articles will be provided for each chapter of the course
Assessment methods and criteria
Oral exam
Work placement(s)
Organizational remarks
Contacts
Benoît Mignolet
Department of chemistry, Building B6c (room R79), 4000 Liège 1 (Sart Tilman)
Tél. : +32/(0)4/366.23.43 - e-mail : bmignolet@ulg.ac.be