The course covers the principles of chemical kinetics, including differential rate laws, derivation of exact and approximate integral rate laws for common elementary and composite reactions, fundamentals of collision and transition state theories, and appl ...
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 advanced topics (accelerated sampling
of rare events, and n ...
Ce cours construit la base théorique universelle permettant de comprendre les systèmes à grand nombre de particules. Les méthodes introduites sont utilisées pour éclairer de nombreux phénomènes à travers la chimie. ...
In this course we study heat transfer (and energy conversion) from a microscopic perspective. First we focus on understanding why classical laws (i.e. Fourier Law) are what they are and what are their limits of validity. Next we discuss emerging opportunit ...