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 reactivity of organic molecules. ...
This lecture introduces the fundamental concepts for describing, characterizing, and engineering surfaces and interfaces. Students will develop both theoretical and practical understanding of how interfacial phenomena influence surface properties and techn ...
"To be useful, helpful, of assistance to someone:" The "In Service of: Berre" studio
reflects on the architectural and territorial project as a form of public service. It explores how architecture and design tools can engage in spatial struggles in the con ...
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 knowledge is sufficient to understand the potential
of these met ...
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 ...
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 perturbation theory, configuration interaction, coupled-cluster t ...
The theoretical background and practical aspects of heterogeneous reactions including the basic knowledge of heterogeneous catalysis are introduced. The fundamentals are given to allow the design of multiphase chemical reactors. ...