Theoretical chemistry and modeling

Presentation

Theoretical chemistry and molecular modeling play an increasingly important role in chemistry, biochemistry, physics, and materials science. This discipline of chemistry provides conceptual tools, qualitative models, and quantitative data that enable theoretical chemists to contribute to the development of innovative, tailor-made chemical systems.

The aim of the program is to provide students with rigorous training in theoretical and computational chemistry with a view to entering academia or joining the R&D teams of major industrial groups. It offers dual expertise in computer science and theoretical chemistry through the learning of a programming language and formal algebra tools.

Know-how and skills

Subject-specific skills

  • Define and implement a digital modeling strategy based on an experimental problem in chemistry, or at the intersection of physics and biochemistry (M)
  • Exploit and analyze results from calculations based on the main methods of theoretical chemistry (E)
  • Develop modeling and simulation tools, particularly for chemistry, through mastery of computer tools, various numerical methods, and at least one programming language (M)

Cross-functional skills

  • Participate in work meetings in English
  • Design, lead, and manage a project independently
  • Integrating into a professional environment

Organization

This program offers courses that are partly shared within the French Network for Theoretical Chemistry (RFCT) with lecturers from various universities in the South-West Cluster: Paul Sabatier University Toulouse 3; University of Bordeaux; University of Pau and Pays de l'Adour.

  • Program: List of course units here
  • Supervised projects: Supervised project in M1 / Supervised project in M2
  • M1 internship: Mandatory internship lasting at least two months
  • M2 internship: Mandatory internship lasting at least 5 months

TARGET AUDIENCE

The entry level is a bachelor's degree. The recommended bachelor's degrees for admission to the first year of the master's program are degrees in physical chemistry, chemistry, or physical sciences.

For direct entry into the second year of the master's program, you should ideally have completed a first-year master's degree in chemistry or physical and chemical sciences, with a strong focus on theoretical chemistry and modeling.

  • Prerequisites: this program is primarily intended for students with a bachelor's degree in physical chemistry or chemistry. Students with a bachelor's degree in science may apply by submitting an application.
  • Recommended prerequisites: Bachelor's degree with a major in physical chemistry or chemistry.

Career opportunities

  • Continuing studies in France: PhD, most often in the field of chemical modeling (quantum chemistry, molecular or solid modeling and dynamics, theoretical physical chemistry, etc.). There are many opportunities to pursue a doctorate in France, but also abroad.
  • Further studies abroad: PhD, most often in the field of modeling in chemistry (quantum chemistry, molecular or solid modeling and dynamics, theoretical physical chemistry, etc.)
  • Career opportunities: Modeling and simulation (research and development engineer, chemical engineer specializing in molecular modeling, etc.) / Other careers available to graduates of this program: programmer analyst, software developer