Theoretical Chemistry and Modeling

  • ECTS

    120 credits

  • Duration

    2 years

  • Training Structure

    College of Sciences

  • Language(s) of Instruction

    French

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 and customized chemical systems.

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  • 100 %

    Success Rate

Objectives

The goal of the Theoretical Chemistry and Modeling track 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.

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Expertise and Skills

Subject-Specific Skills:

  • Define and implement a numerical modeling strategy based on an experimental problem in chemistry, or at the intersection of chemistry, physics, and biochemistry (M)
  • Use 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

 

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Organization

Internships, supervised projects

Internship

Required

Supervised Projects in the First and Second Years of the Master's Program

  • 1 mandatory internship during the M1 program, at least 2 months
  • 1 mandatory internship during the M2 program, at least 5 months
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Program

This program offers courses that are partially shared as part of the French Theoretical Chemistry Network (RFCT), with instructors from various university centers in the Southwest Cluster (Bordeaux, Montpellier, Pau, and Toulouse).

 

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Select a program

  • Statistical Mechanics (University of Toulouse 3)

    4 credits
  • Quantum Mechanics I

    4 credits
  • Liquid NMR Spectroscopy and X-ray Diffraction

    2 credits
  • CHOICE 1

    2 credits
    • Choose one of the following two options:

      • Advanced Inorganic Materials

        2 credits
      • Thermodynamics and Phase Equilibria

        2 credits
  • Chemometrics, statistical data analysis, experimental design

    2 credits
  • Organometallic Chemistry and Heterelement Chemistry

    2 credits
  • Methodology for Characterizing Materials

    2 credits
  • OPTION 2

    2 credits
    • Choose one: 1 out of 1

      • Crystallography I

        2 credits
  • Coordination Chemistry and Organic Chemistry

    2 credits
  • Professional Projects – Project Management

    8 credits
  • Molecular Modeling (University of Toulouse 3)

    2 credits
  • 2-4-month internship

    10 credits
  • Quantum Mechanics II

    5 credits
  • Materials with Remarkable Electronic Properties

    4 credits
  • Theoretical Spectroscopy

    3 credits
  • Communication and Career Integration

    2 credits
  • Electronic and Optical Properties

    2 credits
  • Coordination Chemistry of f-Block Elements

    2 credits
  • Project Management - Business Law

    4 credits
  • Theoretical Organometallic Reactivity

    3 credits
  • Modeling and Responsiveness

    6 credits
  • Methodology of Quantum Chemistry

    3 credits
  • Modeling of Materials with Specific Properties

    4 credits
  • Numerical Methods for Theoretical Chemistry

    4 credits
  • Advanced English

    2 credits
  • Atomistic simulations

    4 credits
  • 5- to 6-month internship

    30 credits

Admission

Admission Requirements

Applications can be submitted through the following platforms: 

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Target Audience

Recruitment level(s): 3 years of higher education

Required degree(s): The bachelor's degrees recommended for admission to the first year of the master's program are in Physical Chemistry, Chemistry, or Physical Sciences.

For direct admission to the Master 2 program:

Ideally: A Master’s degree in Chemistry or a first-year Master’s program in Physical and Chemical Sciences, with a strong focus on theoretical chemistry and modeling.

Applications reviewed carefully: a less relevant educational background, but supplemented by knowledge of modeling (gained through initial training or an internship) and accompanied by strong motivation.

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Capacity

5 in M1 and M2

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Mandatory Prerequisites

The Theoretical Chemistry and Modeling track is primarily intended for students who hold a general bachelor’s degree in Physical Chemistry or Chemistry. Students with a general bachelor’s degree in the sciences may apply by submitting an application.

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Recommended Prerequisites

Hold a bachelor's degree with a major in Physical Chemistry or Chemistry.

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And then

Continuing Education

Ph.D., 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 Ph.D. in France as well as abroad.

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Continuing Your Education Abroad

Ph.D., most often in the field of chemical modeling (quantum chemistry, molecular or solid-state modeling and dynamics, theoretical physical chemistry, etc.).

 

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Employment Placement

Graduates go on to work in the field of modeling and simulation (as design engineers, research and development engineers, chemical engineers specializing in molecular modeling, etc.).

Other careers available to graduates of this program: Programmer-Analyst, Software Developer.

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