Welcome to the Stein Group Website

We are engaged in the theoretical description of physicochemical processes at interfaces, developing new models and algorithms, and applying them to answer current questions in research.

We are particularly interested in comprehending fundamental phenomena to make energy materials like batteries and catalysts more robust, efficient, and sustainable.

We are also excited to supervise theses of bachelor and master students and will frequently post openings for research assistants.

If you are interested, please feel free to contact us at any time!

• We welcome Cara Kohler to our group. Cara started last month as a research assistant in our group. She will investigate electrochemical double layers using molecular mechanical approaches. 

• We are currently seeking a highly motivated and qualified candidate to join our team as a PhD student: The position offers the chance to work on an exciting research project in the field of electrocatalysis combining first principle methods with machine-earning techniques. If you are interested in applying, please visit this link for more information or download the PDF version here.

• We have a new group member, welcome Alessandro Mangiameli! Alessandro started his PhD in the Stein Group in September.

• Workshop in Raitenhaslach: From 24th to 28th July, the entire Stein Group attended a workshop about scientific communication and proposal writing at the TUM Science and Study Center Raitenhaslach. It has been a fantastic week with many exciting talks, seminars, tutorials, sports, and fun in an impressive monastic environment.

• Check out our recently published preprint: E. Kolodzeiski, C. J. Stein. Automated, Consistent, and Even-handed Selection of Active Orbital Spaces for Quantum Embedding, arXiv/2306.09488, 2023

• We are excited to announce that our pre-published paper has now been accepted for publication in the Journal of Chemical Physics and in the Journal of Phyiscal Chemistry A:

  •  J. P. Unsleber, H. Liu, L. Talirz, T. Weymuth, M. Mörchen, A. Grofe, D. Wecker, C. J. Stein, A. Panyala, B.Peng, K. Kowalski, M.Troyer, M.Reiher, High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation, J. Chem. Phys. 158, 084803, 2023

  • M. Rahbar, C. J. Stein, A statistical perspective on microsolvation, Phys. Chem. A., 127, 9, 2176–2193, 2023

• We welcome Matthias Knechtges and Sabrina Duswald in the group. Matthias will support us as a student assistant, and Sabrina will be conducting her research internship in our group. 

• Christopher Stein has been appointed as a member of the ChemPhysChem's Early Career Advisory Board: Christopher joins the Early Career Advisory Board of ChemPhysChem (Chemistry Europe/Wiley) in 2023. Congratulations! Please see the website of Chemistry Europe for more details.

• And another pre-print from our group: M. Rahbar, C. J. Stein. A statistical perspective on microsolvation, arXiv/2212.07544v1, 2022.

• Check out our pre-published paper: J. P. Unsleber, H. Liu, L. Talirz, T. Weymuth, M. Mörchen, A. Grofe, D. Wecker, C. J. Stein, A. Panyala, B.Peng, K. Kowalski, M.Troyer, M.Reiher, arXiv2211.14688v1, 2022.