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Group Members

AG Paulus Mai 2022

AG Paulus Mai 2022


Prof. Dr. Beate Paulus

Professor for Theoretical Chemistry

Quantum Chemistry

+49 30 838 52097



PCTC Office

+49 30 838 62695


PD Dr. Dirk Andrae


electronic structure of atoms, molecules, solids; theoretical studies of complete classes of compounds; relativistic effects; theoretical electrochemistry

+49 30 838 50958


Guest Scientists

Dr. Thomas Grohmann

symmetry effects in molecular quantum theory, nuclear spin isomers, molecular rotors, philosophy of chemistry


Professor Dr. emeritus Jörn Manz

quantum reaction dynamics, femtochemistry, attochemistry


Dr. Adam Michalchuk

theoretical structural analytics

+49 030 8104 5670

Prof. Dr. Elena Voloshina

2D systems


Dr. Jan Felix Witte

molecular electronics, excited states in supramolecular structures, DFT, TD-DFT, dispersion corrections, solvent effects

+49 30 838 64611



Dr. Denis Artiukhin

Postdoctoral Researcher

Frozen-Density Embedding, Diabatization, Nuclear-Electronic Orbital, Proton-Coupled Electron Transfer

+49 30 838 53896

Denis Artiukhin

Dr. Robert Müller

Postdoctoral Researcher

Molecular Reactions

+49 30 838 53348


PhD Students

MSc Lawrence Conrad

PhD Candidate

electron transport

+49 30 838 53745


MSc Jiajun Dai

PhD Candidate

First principle investigation of confined catalysis in void space between two-dimensional materials


MSc Fabian Göritz

PhD Candidate

DFT studies of solid metal fluorides

+49 30 838 53745


MSc Tilen Lindic

PhD Candidate

electrochemical fluorination

+49 30 838 55333


MSc Jian Liang Low

PhD Candidate

computational investigation of N₄-sites in graphitic materials

+49 30 838 55389


MSc Luca Steiner

PhD Candidate

reaction mechanisms of organic molecules

+49 30 838 55389

Luca Steiner

Former Postdocs

name, until, current position (email)

Dr. Isaac Alcón Rovira, 2021, (ialcon (at) zedat.fu-berlin.de)

Dr. Andreas Achazi, 2021, (ajachazi (at) zedat.fu-berlin.de)

Dr. Gernot Füchsel, 2019, (gfuechsel (at) zedat.fu-berlin.de)

Dr. Carsten Müller, 2016, now scientific coordinator of CRC 1349 (carsten.mueller (at) fu-berlin.de)

Dr. Jhon Fredy Perez-Torres, 2016, now professor at Industrial University of Santander, Colombia

PD Dr. Anatole Kenfack, 2015, now associate professor at AUST Abuja, Nigeria

Dr. Krista Steenbergen, 2015, now lecturer at Victoria University of Wellington, New Zealand (krista.steenbergen (at) vuw.ac.nz)

Dr. Susan Torabi, 2014, now assistant professor in the Shiraz University of Medical sciences, Iran

Dr. Shulai Lei, 2017, now at Lanzhou Institute of Chemical Physics

Former PhD Students

name, date of defence, current position (email)

Dr. Jennifer Anders, 10.2023 (jennifer.anders (at) fu-berlin.de)

Dr. Kangli Wang, 03.2022, now Postdoc at Justus-Liebig-Universität Gießen (klwang0329 (at) zedat.fu-berlin.de)

Dr. Jingjing Shao, 09.2021, now at Covestro Shanghai (jingjingshao (at) zedat.fu-berlin.de)

Dr. Frederik Bader, 08.2021, now Postdoc at Aarhus University (f.bader (at) fu-berlin.de)

Dr. Christian Becker, 07.2021 (c.becker (at) fu-berlin.de)

Dr. Jan Felix Witte, 05.2021, now scientific coordinator at FU Berlin, Physics department (jf.witte (at) zedat.fu-berlin.de)

Dr. Stefan Mattsson, 07.2020 (smattsson (at) zedat.fu-berlin.de)

Dr. Tobias Serwatka, 05.2020 (serwatka (at) zedat.fu-berlin.de)

Dr. Yasmeen Qawasmeh, 05.2020 (yasmeen (at) zedat.fu-berlin.de)

Dr. Kai Töpfer, 02.2020 (kai.toepfer (at) fu-berlin.de)

Dr. Christian Stemmle, 10.2019 (chrst (at) zedat.fu-berlin.de)

Dr. Davood Alizadeh Sanati, 10.2019 (davood (at) zedat.fu-berlin.de)

Dr. Chunmei Liu, 07.2019 (chunmei (at) zedat.fu-berlin.de)

Dr. Zeinab Kaawar, 05.2018 (kaawarzeinab (at) zedat.fu-berlin.de)

Dr. Johannes Budau, 08.2018 (budau (at) zedat.fu-berlin.de)

Dr. Andreas Achazi, 11.2017, after University of South Dakota, USA, now Postdoc at Justus-Liebig-Universität Gießen (ajachazi (at) zedat.fu-berlin.de)

Dr. Lukas Eugen Marsoner Steinkasserer, 06.2017, now consultant at Basycon Unternehmensberatung GmbH (marsoner (at) zedat.fu-berlin.de)

Dr. Matthias Berg, 02.2017, now postdoc at HZB - Annika Bande's group

Dr. Marcel Quennet, 11.2016, co-founder of Quantum on Demand/Quantistry (marque (at) zedat.fu-berlin.de)

Dr. Edoardo Fertitta, 2016, now member of Happy Electron Ltd and Arrival Ltd (edoardofertitta (at) googlemail.com)

Dr. Elisavet Kanaki, 01.2016, now member of Microplastics Group of Leibniz-Institut für Polymerforschung Dresden (kanaki (at) ipfdd.de)

Dr. Lukas Hammerschmidt, 06.2015, (lukhamm (at) zedat.fu-berlin.de)

Dr. Axel Schild, 09.2013, now at ETH Zürich (axel.schild (at) phys.chem.ethz.ch)

Dr. Timm Bredtmann, 09.2013, now at Max-Born-Institut (timm.bredtmann (at) mbi-berlin.de)

Dr. Doreen Mollenhauer, 10.2011, now professor at Justus-Liebig-Universität Gießen (Doreen.Mollenhauer (at) phys.chemie.uni-giessen.de)