Description

Computational methods based on molecular mechanics, statistical mechanics and informatics are introduced with the focus on molecular systems. The methodologies include force fields, molecular dynamics and Monte Carlo simulations, energy minimizations and conformational analysis, solvation models periodic systems.

Compétences visées

• Contextualize and define the discipline of Molecular Modelling.
• Define the foundations and theoretical calculations in molecular mechanics.
• Understand and apply the methods of optimization of molecular models: minimization and molecular dynamics.

Contacts

Responsable(s) de l'enseignement

• Rachel Schurhammer

MCC

Les épreuves indiquées respectent et appliquent le règlement de votre formation, disponible dans l'onglet Documents de la description de la formation.

Régime d'évaluation

CT (Contrôle terminal, mêlé de contrôle continu)

Coefficient

1.5

Évaluation initiale / Session principale - Épreuves

Seconde chance / Session de rattrapage - Épreuves