Field: Sciences of Matter

Branch: Chemistry

Speciality: Theoretical and computational chemistry

Speciality description:

The Master’s program in Theoretical and Computational Chemistry aims to train students capable of understanding and applying theoretical and computational chemistry across various fields, including materials science, analytical chemistry, polymer chemistry, and more. Students acquire a solid foundation in quantum chemistry, molecular mechanics and dynamics, molecular docking, as well as ab initio methods and density functional theory (DFT). They also develop skills in mathematics, statistics, and programming (notably with Matlab and Python), along with proficiency in molecular simulation software such as Gaussian and ABINIT. The program enables them to analyze and predict the structural, electronic, spectroscopic, and thermodynamic properties of molecules and materials. Artificial intelligence techniques are also introduced for the modeling and optimization of chemical systems.