Mia Schambeck

Name	Mia Schambeck
Pronouns	she/her
Birth	1997-12-08
Hobbys	Sports, Cooking, Computer stuff
Contact	E-Mail

Physics	Condensed matter simulation, molecular simulation & modelling
Computer Science	Algorithm & data structure design
Programming	Experience in scientific programming, driver development for measurement devices
Teaching	Experience in teaching programming languages and physics at university level
Languages	C, Go, Hare, Python, C++, Rust, Perl, Julia
Software	Linux, Git, Vim, VS-Codium

since April 2023	Research for masters thesis, University of Regensburg
December 2021 - Septermber 2023	Developer in the Lab::Measurement project
April 2021	Bachelors degree, University of Regensburg
since April 2017	Study of Physics, University of Regensburg

SoSe 2023 - WiSe 2024	Beginners course in C/C++ (teacher)
WiSe 22/23	Beginners course in C/C++ (teaching assistant)
WiSe 22/23	Beginners course in LaTeX (teaching assistant)
SoSe 2021	Experimental thermodynamics (teaching assistant)
SoSe 2020	Experimental thermodynamics (teaching assistant)

Thesis: Energy levels in molecules

The GW100 test suite is a modern benchmark set for molecular systems. It contains reference GW results for 100 molecules. Five of those selected compounds (BN, ozone, BeO, MgO, CuCN) are difficult to simulate and require tight numerical parameters. [1] Our goal is to get good results using the low-scaling GW method implemented in the CP2K open-source package. [2] A preprint of the findings can be accessed on arXiv.

[1] Michiel J. van Setten et al.: GW100: Benchmarking G0W0 for Molecular Systems, J. Chem. Theory Comput. 2015, 11, 12, 5665–5687

[2] Thomas D. Kühne et al.: CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations, J. Chem. Phys. 152, 194103 (2020)