894307 Statistical thermodynamics and molecular simulation (in Eng.)


Art
Vorlesung und Übung
Semesterstunden
3
Vortragende/r (Mitwirkende/r)
Oostenbrink, Chris
Organisation
Institut für Molekulare Modellierung und Simulation (MMS)
Angeboten im Semester
Wintersemester 2017/18
Unterrichts-/ Lehrsprachen
Englisch

Lehrinhalt

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.

Lehrziel

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.
Noch mehr Informationen zur Lehrveranstaltung, wie Termine oder Informationen zu Prüfungen, usw. finden Sie auf der Lehrveranstaltungsseite in BOKUonline.