724603 VO Molecular Modelling

winter semester 2019/2020 | Last update: 16.10.2019 | Place course on memo list

Department:

Department of General, Inorganic and Theoretical Chemistry

Instructor:

Dr. Johannes Löffler, MSc
Priv.-Doz. Dr. Christofer Tautermann

Course number:

724603

Title:

VO Molecular Modelling

Type/hours:

VO 2

ECTS credits:

2,5

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:

07.01.2020

Course allocation

Faculty of Chemistry and Pharmacy

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

Elective Modules - Advanced Studies (15 ECTS-Credits)

Elective Module 24: Advanced Study of Theoretical Chemistry A (5 ECTS-Credits, 4 h)

Dates

Group 0	Export course dates of this group as iCalendar (.ics) Help
Date	Time	Location
Tue 2020-01-07	13.00 - 18.00	L.01.125 L.01.125	Barrier-free
Wed 2020-01-08	13.00 - 18.00	L.01.125 L.01.125	Barrier-free
Thu 2020-01-09	13.00 - 18.00	L.01.125 L.01.125	Barrier-free
Fri 2020-01-10	13.00 - 18.00	L.01.125 L.01.125	Barrier-free
Mon 2020-01-13	13.00 - 18.00	L.01.125 L.01.125	Barrier-free
Tue 2020-01-14	13.00 - 18.00	L.01.125 L.01.125	Barrier-free
Wed 2020-01-15	13.00 - 18.00	L.01.125 L.01.125	Barrier-free
Thu 2020-01-16	13.00 - 18.00	L.01.125 L.01.125	Barrier-free
Fri 2020-01-17	10.00 - 12.00	L.01.220 L.01.220		Prüfung