Concept

Chimie quantique

Cours associés (31)

Introduction to Quantum Mechanics with examples related to chemistry

The course covers several exact, approximate, and numerical methods to solve the time-dependent molecular Schrödinger equation, and applications including calculations of molecular electronic spectra.

CH-353: Introduction to electronic structure methods

Repetition of the basic concepts of quantum mechanics and main numerical algorithms used for practical implementions. Basic principles of electronic structure methods:Hartree-Fock, many body perturbat

CH-110: Advanced general chemistry I

Le cours comporte deux parties. Les bases de la thermodynamique des équilibres et de la cinétique des réactions sont introduites dans l'une d'elles. Les premières notions de chimie quantique sur les é

CH-431: Physical and computational organic chemistry

This course introduces modern computational electronic structure methods and their broad applications to organic chemistry. It also discusses physical organic concepts to illustrate the stability and

MSE-101(a): Materials:from chemistry to properties

Ce cours permet l'acquisition des notions essentielles relatives à la structure de la matière, aux équilibres et à la réactivité chimique en liaison avec les propriétés mécaniques, thermiques, électri

MSE-468: Atomistic and quantum simulations of materials

Theory and application of quantum simulations to model, understand, and predict the properties of real materials.

CH-351: Molecular dynamics and Monte-Carlo simulation

Introduction to molecular dynamics and Monte-Carlo simulation methods.

CH-442: Photochemistry I

This course presents the theoretical bases of electronic spectroscopy and molecular photophysics. The principles of the reactivity of excited states of molecules and solids under irradiation are detai

CH-452: Computational methods in molecular quantum mechanics

This course will discuss the main methods for the simulation of quantum time dependent properties for molecular systems. Basic notions of density functional theory will be covered. An introduction to