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Molecular modelling

  • Cours (CM) 10h
  • Cours intégrés (CI) -
  • Travaux dirigés (TD) 10h
  • Travaux pratiques (TP) -
  • Travail étudiant (TE) -

Langue de l'enseignement : Anglais

Description du contenu de l'enseignement

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 à acquérir

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

Contact

Faculté de Chimie

1 RUE BLAISE PASCAL
67008 STRASBOURG
0368851672

Responsable

Alain Chaumont


MASTER - Chimie