• Study level

    BAC +5

  • ECTS

    6 credits

  • Component

    Faculty of Science

Description

The aim is to acquire strong skills in theoretical chemistry through the discovery or deepening of various themes.

This module is organized in two phases: (i) online courses and seminars, delivered throughout the first semester; (ii) a week of intensive training in early January, at one of the sites of the South-West pole of the French Theoretical Chemistry Network (Bordeaux, Montpellier, Pau, Toulouse).

Topics covered include :

- quantum chemistry and relativity

- Monte Carlo methods

- exploring potential energy surfaces

- calculation of the electronic structure of periodic systems

- quantum dynamics

- calculation of spectroscopic properties

Hourly volumes* :

CM: 40

TD : 20

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Objectives

Target skills :

- maı̂triser a wide range of conceptual and numerical tools for conducting theoretical studies in chemistry and physical chemistry.

- exploit and analyze the results of calculations based on the main methods of theoretical chemistry

- apply some of the basic tools of theoretical chemistry

- implement a project: define objectives and context, carry out and evaluate the action, write an activity report

- define and implement a numerical modeling strategy based on an experimental problem in chemistry, or at the frontier with physics and biochemistry

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Necessary prerequisites

Basics of quantum mechanics

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Knowledge control

Final written exam.

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Syllabus

The aim is to acquire strong skills in theoretical chemistry through the discovery or deepening of various themes.

This module is organized in two phases: (i) online courses and seminars, delivered throughout the first semester; (ii) a week of intensive training in early January, at one of the sites of the South-West pole of the French Theoretical Chemistry Network (Bordeaux, Montpellier, Pau, Toulouse).

Topics covered include :

- quantum chemistry and relativity

- Monte Carlo methods

- exploring potential energy surfaces

- calculation of the electronic structure of periodic systems

- quantum dynamics

- calculation of spectroscopic properties

Read more

Further information

Administrative contact(s) :

Secretariat Master Chemistry

https://master-chimie.edu.umontpellier.fr/

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