Theoretical Chemistry and Modeling

Overview

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

The goal of the program is to provide students with a rigorous education in theoretical and computational chemistry, preparing them to enter academia or join the R&D teams of major industrial companies. It offers dual expertise in computer science and theoretical chemistry through the study of a programming language and formal algebra tools.

Expertise and skills

Subject-specific skills

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

Transferable skills

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

Organization

This program offers courses taught in part through a collaborative effort within the French Network for Theoretical Chemistry (RFCT), featuring faculty from various universities in the Southwest Cluster: Paul Sabatier University of Toulouse 3; University of Bordeaux; and University of Pau and the Pays de l’Adour.

  • Curriculum: List of course units here
  • Supervised projects: Supervised project in the first year of the master's program / Supervised project in the second year of the master's program
  • M1 Internship: Mandatory internship lasting at least 2 months
  • M2 Internship: Mandatory internship lasting at least 5 months

TARGET AUDIENCE

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

For direct admission to the second year of the master’s program, you should ideally have completed the first year of a master’s program in chemistry or physical and chemical sciences, with a strong focus on theoretical chemistry and modeling.

  • Prerequisites: This program is primarily intended for students who hold a general bachelor’s degree in physical chemistry or chemistry. Students holding a general bachelor’s degree in science may apply by submitting an application.
  • Recommended prerequisites: a bachelor’s degree with a major in physical chemistry or chemistry.

Career Opportunities

  • Further studies in France: PhD, most often in the field of chemical modeling (quantum chemistry, molecular or solid-state modeling and dynamics, theoretical physical chemistry, etc.). There are many opportunities to pursue a PhD in France as well as abroad
  • Further studies abroad: PhD, most often in the field of chemical modeling (quantum chemistry, molecular or solid-state modeling and dynamics, theoretical physical chemistry, etc.)
  • Career opportunities: Modeling and simulation (design engineer, R&D engineer, chemical engineer specializing in molecular modeling, etc.) / Other careers open to graduates of this program: programmer-analyst, software developer