Concept

Molecular design software

CH-351: Molecular dynamics and Monte-Carlo simulation

Introduction to molecular dynamics and Monte-Carlo simulation methods.

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.

BIO-468: Scientific literature analysis in computational molecular biology

The goal of this course is to learn to analyze a scientific paper critically, asking whether the data presented support the conclusions that are drawn. The analysis is presented in the form of a summa

MSE-305: Introduction to atomic-scale modeling

This course provides an introduction to the modeling of matter at the atomic scale, using interactive Jupyter notebooks to see several of the core concepts of materials science in action.

BIO-315: Structural biology

The main focus of this course is on the molecular interactions defining the structure, dynamics and function of biological systems. The principal experimental and computational techniques used in stru

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

ChE-605: AI in chemistry and beyond:Highlights in the field

Should have expertise in chemistry, physics or lite and material sciences. Although a very good knowledge in Al-based algorithms is required to fully understand the technical details, a basic knowledg

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-420: Understanding advanced molecular simulation

This course introduces advanced molecular simulation techniques such as Monte Carlo and Molecular dynamics in different ensembles, free energy calculations, rare events, Configurational-bias Monte Car

MSE-639: Statistical methods in atomistic computer simulations

The course gives an overview of atomistic simulation methods, combining theoretical lectures and hands-on sessions. It covers the basics (molecular dynamics and monte carlo sampling) and also more adv