Being part of the theoretical chemistry department since her Bachelor and Master studies, Eileen now, on May the 9th, defended her PhD thesis with brilliance. After hard work follows a well deserved vacation in the US and the move to Bavaria’s capital. In Munich she will work in the field of Quantum Computers. We know about Quantum and we know about computers, what could possibly go wrong? With Eileen on the lead: nothing! We wish the best of luck in the very distant Munich!
After a long, hard and exhausting relocation, the programmer team has succesfully moved our new headnode. Welcome new computing slave Unicorn (Unbelievable Nice Irreplaceable Cluster Of Researching Nature). Goodbye loyal ECPC, which took a lot of work over the years.
Participants: Dustin Kaiser, Sara Wirsing
During the week at the “Wissenschaftspark“ in Gelsenkirchen we could expand our knowledge on the basics of and recent progresses in ab initio methods. This newly acquired skills were then strengthened in challenging, practical courses which could easily cause a little headache. Luckily, there were enough “Leidensgenossen”, who were eager to share a drink and revitalize for the next interesting (and a little bit exhausting) day.
Successful master thesis of Sara Wirsing and our new PhD student
Topic of the master thesis: Theoretical Investigations on Perylene-Based Bilayer Systems
Nora Marie Knickmeier
Development of Methods to Generate Appropriate Subsystems for Translation-Rotation-Internal Coordinates and their Implementation
QM / QM / MM studies -Influence of an additional QM-layer on the inhibition of rhodesain with K11777
Marian Deutsch (Poster session): Investigation on Squaraine Monomers and Dimers
Julian Erdmannsdörfer (Talk): Redundant Internal Coordinates For Efficient Geometry Optimization
In 2018, too, the "Forschergruppe" FOR1809 (word for word translation: group of researchers) took the opportunity to meet in Rückersbach to present many interesting topics all around light induced dynamics. Furthermore there was an active exchange between the members by enjoing a pleasent hops smoothy and deliciouse food which might induced enlightment for one or another (this pun worked much better in German).
Reaction Pathway Generation - Refinement of Internal Interpolation Procedure