724601 Molecular Modelling

winter semester 2016/2017 | Last update: 27.10.2016 Place course on memo list
724601
Molecular Modelling
VO 1
1,5
Block
annually
German

Students are able to apply computational methods for modeling of molecules and materials . Use classical and quantum mechanical forces for the description of dynamic processes and to predict thermodynamic properties . Use MC and MD Verfahren , advanced quantum-chemical calculation methods and methods are discussed in the lectures die , using examples

Chemo computer science , molecular descriptors , Chemical similarity , Virtual screening , structure-based design , chemical databases

lecture

written

Will be discussed in the first lesson.

24.10.2016
Group 0
Date Time Location
Mon 2016-10-31
13.00 - 14.00 L.01.220 L.01.220