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CPC Group, July 20261/61/6
2/6CPC group at the CCSC2026 in Munich, March 20262/6
CPC Group, October 2025
CPC Group, October 20253/63/6
MMWS2 2025, Erlangen
CPC group at the Molecular Modeling Workshop in Erlangen3/5, March 20254/6
CPC Group in Heidlberg, May 2024
CPC Group at the CCSC2024 in Heidlberg, May 20244/55/6
CPC Group, May 2024
CPC Group at the CCSC2024, May 20245/56/6

Head of the Group

Carolin Müller, Jun.-Prof.
E-Mail:  carolin.cpc.mueller@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.201B

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Isabelle Schraufstetter, secretary
E-Mail:  ccc@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.111
Phone:  09131-85-20400

Researcher

Kevin Höllring, Postdoctoral Researcher (ChemPrint, CRC 1719)
E-Mail:  kevin.hoellring@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.209

tba, Postdoctoral Researcher (STAEDTLER Stiftung)
E-Mail: tba
Office:  Computer-Chemie-Centrum (CCC), 2.306

Theodor Everley Röhrkasten, PhD student
E-Mail:  theodor.roehrkasten@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Martina Hartinger, PhD student (FCI Kekulé Fellowship)
E-Mail:  martina.hartinger@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.209

Shi Hui Wong, PhD student (HFA, HRCD)
E-Mail:  shi.wong@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.209

Tomáš Grycz, PhD student (HFA)
E-Mail: tomas.grycz@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.208

Vipul Kumar Ambasta, PhD student (CRC719 ChemPrint)
E-Mail: vipul.kumar.ambasta@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.208

Connor Forster, research assistant
E-Mail:  connor.forster@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.208

Tobias Werner, research assistant
E-Mail:  tobias.werner@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Ömer Faruk Erdem, research assistant
E-Mail:  oemer.erdem@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

Deepthi Kiran, guest researcher
Office:  Computer-Chemie-Centrum (CCC), 2.306

Undergraduate and Graduate Students

Mohammad Saad Khan, master student
E-Mail:  mohammad.s.khan@fau.de
Office:  Computer-Chemie-Centrum (CCC), 2.306

M. Sc. Artificial Intelligence

Completed Theses

M. Sc. Chemie / Chemistry

  • Shi Hui Wong (‘Rational Design of Perylene-Rhodium Photocatalysts: A Computational Investigation‘), 09/2025

M. Sc. Advanced Materials and Processes

  • Vipul Kumar Ambasta (‘Environmental Effects on Molecular Structure and Optical Properties: From Crystals to Surfaces’), 07/2026

M. Sc. Artificial Intelligence

  • Fariba Mohammadipour (‘Time-Series Learning for Efficient Simulation Steering: A Case Study on Photoinduced E/Z-Isomerization’), 04/2026
  • Mohammad Madahian (‘Interpretable ChemBERTa Fine‑Tuning for Predicting UV/Vis Absorption Maxima of Organic Chromophores’), 04/2026

Lisa Lengenfeld, B. Sc. Chemie

Jonas Heimann, B. Sc. Chemie

Leon Gärttner, B. Sc. Chemie

Completed Theses

B. Sc. Chemie

  • Katharina Fuchs (Substituent Effects on the Photoisomerization of Aza-Diarylethenes: A Theoretical Study)
  • Connor Forster (Revisiting Woodward-Fieser-Kuhn Rules and Acridine Cyclo-Annulation for efficient Prediction of Absorption Maxima)
  • Dario Karlovic (Theoretical Insights into the light-driven intramolecular [3+2] cycloaddition towards Chromenopyrazoles)
  • Tobias Werner (Combining Active Learning and Excited State Machine Learning Force Fields for the Optimization of Data Acquisition to Describe Photoisomerization)

Alumni

  • Nathan Pierrat (master student @ ENS Paris-Saclay)
  • Julia Ngo (master student @ RWTH Aachen)
  • Debabrata Halder (postdoctoral researcher, EAM Starting Grant)
  • Cansun Saglam (research/conference assistant for CCSC 2026)