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Group Members

Group November 2019

Group November 2019


Prof. Dr. Beate Paulus

Professor for Theoretical Chemistry

Quantum Chemistry

+49 30 838 52097

Prof. Dr. Beate Paulus


Julija Djordjevic


+49 30 838 52051


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


Prof. Dr. Jörn Manz

quantum reaction dynamics, femtochemistry, attochemistry


Dr. Adam Michalchuk

theoretical structural analytics

+49 030 8104 5670

Prof. Dr. Elena Voloshina

2D systems



Dr. Pascal Krause

Postdoctoral Researcher

exciton dynamics in coupled Germanium Quantum Dots using TDDFT-based rho-TDCI scheme


Dr. Isaac Alcón Rovira

Postdoctoral Researcher

design and modelling of carbon-based nano-electronics following a bottom-up molecular approach

+49 30 838 53896


M.Sc Tobias Serwatka

Postdoctoral Researcher

quantum dynamics of adsorbates

+49 30 838 53745

Dr. Kai Töpfer

Postdoctoral Researcher

quantum dynamics of adsorbates

+49 30 838 55333

PhD Students

MSc Jennifer Anders

PhD Candidate

DFT studies of geological twins separation in hydrogen fluoride

+49 30 838 59015


MSc Frederik Bader

PhD Candidate

matrix isolation effects

+49 30 838 53745


MSc Christian Becker

PhD Candidate

AlF₃ and ACF-surfaces with hydrocarbons

+49 30 838 53348


MSc Tim Küllmey

PhD Candidate

zincblende type semiconductors, pressure dependent phase transitions

+49 30 838 53348


MSc Tilen Lindic

PhD Candidate

electrochemical fluorination

+49 30 838 55333

MSc Jian Liang Low

Master Thesis

computational investigation of N₄-sites in graphitic materials


MSc. Stefan Mattsson

PhD Candidate

electrochemical fluorination


MSc. Jingjing Shao

PhD Candidate

fluorinated metal organic frameworks (MOFs), graphene


MSc. Kangli Wang

PhD Candidate

binding of molecules to the S vaccancies in transition metal dichalogenides


MSc Felix Witte

PhD Candidate

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

+49 30 838 53348



Julian Friedrich Hille


stimuli-responsive rotaxanes


Former Postdocs

name, until, current position (email)

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. 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, now at University of South Dakota, USA (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, now co-founder of Quantum on Demand (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)