Concept

Chimie numérique

Cours associés (43)

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CH-492: Project in molecular sciences Ia

Short research project within one of our laboratories in chemistry at SCGC.

CH-609: Introduction to the ChemInfo ELN of ISIC

This course will be on Electronic Laboratory Notebooks and is aimed at (future) users. Multiple electronic lab notebooks exists. The course will focus on the Cheminfo tools (https://eln.epfl.ch/).

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-359: Project of Computational chemistry

Ce cours exploite les techniques de chimie quantique et de modélisation moléculaire dans le cadre d'un projet de recherche visant a résoudre un problème chimique en binôme.

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

CH-244: Quantum chemistry

Introduction to Quantum Mechanics with examples related to chemistry

ENV-200: Environmental chemistry

This course provides students with an overview over the basics of environmental chemistry. This includes the chemistry of natural systems, as well as the fate of anthropogenic chemicals in natural sys

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

ME-629: Fundamentals of Fracture with Fundamental Papers

The principles of fracture mechanics, from the energy balance approach of Griffith through modern computational approaches, will be introduced using key papers. Phase-field modeling and atomistic proc

CH-315: Modeling lab

In this course we give a hands-on introduction on the use of modeling and data in chemistry. After an introduction in the different tools used by computational chemists, we discuss three topics in mor