Willkommen auf der Hompage der AG Stein
Wir beschäftigen uns mit der theoretischen Beschreibung physikochemischer Prozesse an Grenzflächen, entwickeln neue Modelle und Algorithmen und wenden diese auf aktuelle Fragestellungen an.
Insbesondere sind wir daran interessiert zu verstehen, wie wir derartige fundamentale Phänomene nutzen können, um Energiematerialien wie Batterien und Katalysatoren robuster, effizienter und nachhaltiger zu gestalten.
Wir freuen uns zudem, die Abschlussarbeiten von Bachelorand*innen und Masterand*innen zu betreuen und werden auch immer wieder Stellen für wissenschaftliche Hilfskräfte ausschreiben.
Bei Interesse können Sie uns gerne jederzeit kontaktieren!
- Paper accepted in Angewandte Chemie! Check out our latest collaboration results on "Enantioselective Intramolecular ortho Photocycloaddition Reactions of 2-Acetonaphthones"
- 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.
- On the cover! We are excited to see our "Automated, Consistent, and Even-Handed Selection of Active Orbital Spaces for Quantum Embedding" approach on the cover of J. Chem. Theory Comput.
- 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.
- STC 2023: The Stein Group presented the freshest results from the group's research at the 59th Symposium on Theoretical Chemistry in Zürich. It has been a fantastic conference with lots of fascinating talks and science and great people.
- 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
- 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.
- KPS Retreat 2022 in Braunschweig: The AG Stein presented their latest results from the group's research at the first KPS Retreat in Braunschweig. It has been a fantastic conference with excellent talks and great people. Thanks to the organization team (Proppe Group) in Braunschweig. We are looking forward to the "KPS Retreat 2023" in Darmstadt next year organized by the Krewald Group.