724601 Molecular Modelling

winter semester 2016/2017 | Last update: 27.10.2016 | Place course on memo list

Department:

Department of General, Inorganic and Theoretical Chemistry

Instructor:

Dr. Julian Fuchs

Course number:

724601

Title:

Molecular Modelling

Type/hours:

VO 1

ECTS credits:

1,5

Period:

Block

Mode of repetition:

annually

Language of instruction:

German

Learning Outcome:

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

Contents:

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

Methods:

lecture

Assessment:

written

Literature:

Will be discussed in the first lesson.

Start:

24.10.2016

Course allocation

Faculty of Chemistry and Pharmacy

Master's Programme Chemistry according to the curriculum 2008 (120 ECTS-Credits, 4 semesters)

Elective Modules (62.5 ECTS-Credits)

Elective Module 9: Theoretical Chemistry (12.5 ECTS-Credits, 10 h)

Dates

Group 0	Export course dates of this group as iCalendar (.ics) Help
Date	Time	Location
Mon 2016-10-31	13.00 - 14.00	L.01.220 L.01.220