894307 Statistical thermodynamics and molecular simulation

Lecture and exercise
Semester hours
Lecturer (assistant)
Offered in
Wintersemester 2022/23
Languages of instruction


This elective course addresses molecular-level descriptions of important systems and processes, such as e.g. liquids, solutions, interfaces, solvation or adsorption. In order to understand such systems and processes at a molecular level, it is important to know that in experimental measurements, one observes averages over many molecules and long time scales. The connection between molecular information on a microscopic level and macroscopic thermodynamic properties is established with the help of statistical mechanics. Insight into the manifold of possible microscopic molecular configurations can be obtained via molecular sampling and simulation techniques.
The course will consist of lectures and practical exercises.

Note that the block of appointments in the Linux training room are not compulsory. The room is reserved to ensure that students have the possibility to do the exercises in these weeks, but a continuous presence is not required.

Objective (expected results of study and acquired competences)

The aim of the course is to acquire fundamental knowledge of classical statistical thermodynamics and important molecular theories concerning the condensed phase, and to gain an in-depth understanding of modern sampling and simulation techniques.
You can find more details like the schedule or information about exams on the course-page in BOKUonline.