Group Seminar Summer Semester 2017

Format: Presentation and discussion of interesting literature, 
numerical or technical facts, tools and fundamental questions of science
Informal scientific get-together with coffee and biscuits

Date: Tuesdays, 4:00 pm (16:00), unless stated otherwise

Room: CH 63214 (Seminar Room TUM.computational)

For appointment requests please contact Simon Rittmeyer.

Date Speaker Title
11.04.2017 Martin Deimel Calculation of the g-Tensor for the Fe-Mabiq Complex with the ReSpect Program Package (Presentation of M.Sc. internship)
25.04.2017 Marvin Lechner Ewald Summation for Multipoles in FHI-aims (Presentation of M.Sc. internship)
02.05.2017 Markus Pielmeier 2D Holmium-Terephthalate Coordination Network Simulations (Presentation of M.Sc. internship)
09.05.2017 Simon Rittmeyer and Dr. Christoph Schober Tech Seminar: Bundling generic coding efforts in "rtools" using gitlab
30.05.2017, 4.15pm@LRZ Rubén García Hernández (LRZ) Virtual Reality tools for Material Science and Chemistry (Talk is at the LRZ! We depart at 4.00pm from the Chemistry Department)
13.06.2017 Dr. Johannes Margraf Towards a Roadmap of Chemical Space
20.06.2017 Kevin Wohlhauser Benchmark of dispersion-corrected DFTB as a tool for ab initio organic crystal structure prediction (Presentation of B.Sc. thesis)
27.06.2017 Dr. Oliver Hofmann (TU Graz) Determining Surface-Induced Phases at Hybrid Interfaces with Basin Hopping and Machine Learning
11.07.2017 Armin Römer A study on the ACKS2 response matrix: On validity and transferability (Presentation of B.Sc. thesis)
18.07.2017 Dr. David O'Regan (Trinity College Dublin) Linear-scaling direct-minimization approaches for orbital-based constrained DFT, DFT+U, and beyond
01.08.2017 None