724601 Molecular Modelling
winter semester 2016/2017 | Last update: 27.10.2016 | Place course on memo list724601
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