This bachelor course provides an introduction to programming concepts and tools used for scientific applications in chemistry. In addition you will learn to work with the Unix operating system that is used in virtually all scientific computing environments.
This master course provides an introduction into modern programming methods used by scientists. Emphasis lies on applications in chemistry, but the programming methods are of course more generally applicable and useful for other scientific fields as well.
The intriguing possibilities of life in places beyond Earth, is becoming a viable research field, thanks to advances in chemistry, life science, planetary science and astronomy. In this transdisciplinary honours course we will address the different dimensions of this question.
Crystal structure of solids (inorganic and inorganic/organic materials); Chemical bonding & Crystal symmetry; Degree of ordering & Phase transitions; Relation between properties, structure and crystal symmetry. Microporous and Mesoporous solids (Zeolites, Clays, Organosilicates, Metal-Organic
Frameworks, Covalent Organic Frameworks).
The lectures start with a recap of statistical mechanics, and an introduction molecular dynamics and Monte Carlo methods. Subsequently, methods to compute free energies and phase equilibria, and advanced Monte Carlo techniques to simulate complex fluids will be discussed.