Study programme 2021-2022 | Français | ||
Molecular Modelling in Chemistry | |||
Learning Activity |
Code | Lecturer(s) | Associate Lecturer(s) | Subsitute Lecturer(s) et other(s) | Establishment |
---|---|---|---|---|
S-CHIM-075 |
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Language of instruction | Language of assessment | HT(*) | HTPE(*) | HTPS(*) | HR(*) | HD(*) | Term |
---|---|---|---|---|---|---|---|
Français | Français | 15 | 0 | 15 | 0 | 0 | Q1 |
Content of Learning Activity
Principle of force fields
Techniques and calculation programs of molecular mechanics, molecular dynamics, and of Monte Carlo
Conformational studies of molecules and multicomponent systems (supramolecular assemblies, morphologies, phase separation), influence of the environment (gas, solutions, films and surfaces), thermodynamical properties
Simulation of biomolecules: structure, biological force fields, solvation models, applications to drug design
Required Learning Resources/Tools
Not applicable
Recommended Learning Resources/Tools
Slides on Moodle
Other Recommended Reading
Not applicable
Mode of delivery
Type of Teaching Activity/Activities
Evaluations
The assessment methods of the Learning Activity (AA) are specified in the course description of the corresponding Educational Component (UE)