Are you passionate about cutting-edge fundamental research on molecular and 2D materials
heterostructures? Are you looking to pursue research in an excellent, interdisciplinary
research environment at a leading German university? If so, we invite you to apply!

The newly established Collaborative Research Center CRC 1772 "mol2Dmat" investigates
novel collective states and quantum phenomena in heterostructures of molecules and two-
dimensional materials. Our interdisciplinary consortium brings together 20 research groups
from Freie Universität Berlin, Humboldt-Universität zu Berlin, Technische Universität Berlin,
and the Max Planck Institute in Hamburg. Our work combines physics, chemistry, and
materials science – pushing the frontiers of quantum materials research.

The overarching goal of the Collaborative Research Center (CRC) 1772 is to explore and
harness previously inaccessible collective phenomena and ground states in heterostructures
of molecules and two-dimensional materials. Two-dimensional (2D) materials are atomically
thin crystals that may be stacked into heterostructures with new and totally unexpected
properties. CRC 1772 takes this to the next level by creating and studying heterostructures of
organic and inorganic molecules encapsulated inside 2D materials.

As a Postdoc in Theoretical Chemistry, you will become part of an excellent scientific
network. You will have access to cutting-edge theoretical methods and computing facilities
and a wide range of development opportunities. We are committed to family and academic
life being compatible and promoting diversity and equal opportunity through a variety of
support measures.

We offer one Postdoc position at the Insititute of Chemistry and Biochemistry (Group of Prof.
Dr. Beate Paulus, Theoretical Chemistry) at Freie Universität Berlin starting October 1, 2025.

Contribute to research in subproject "C04 – In silico design of mol2Dmat heterostructures",
especially in the field of halogen intercalation in graphitic materials and the formation of
polyhalogens. The applied methods will include first principles methods like DFT, both for
finite and periodic systems, ab initio molecular dynamics simulations and calculations of
various molecular properties for comparison with experimental results.

Completed university degree (M.Sc or Diploma degree) in Chemistry or a closely relatet field
and PhD / Doctoral degree in Chemistry or a closely related field.

(Professional) Experience
Expertise in research in the field of Computational and Theoretical Chemistry.
Desirable:

• Very good knowledge in theoretical chemistry with the emphasis on ab initio methods
• Research expertise of several years (during PhD time) with measurable output in peer-
  reviewed publications. Ideally, the theoretical methods in your command align with the
  research direction of the announced project.
• Excellent command of written and oral English (B2).
• Experience in the presentation of scientific results in written and oral form.
• Dedication towards scientific work
• Programming skills, experience with Linux and high performing computing
• Experience in joint experimental-theoretical collaborations

We are interested in a diverse research community and particularly encourage members of
underrepresented groups to apply.
Applications should be sent by e-mail, together with significant documents (cover letter, your
CV, a copy/scan of your degrees), indicating the reference code, no later than august 25th 2025 in PDF format (preferably as one document) to Mrs. Prof. Dr. Beate Paulus:
b.paulus@fu-berlin.de or postal to

Physikalische und Theoretische Chemie / Theoretische Chemie
Frau Prof. Dr. Beate Paulus
Arnimallee 22

With an electronic application, you acknowledge that FU Berlin saves and processes your data.
FU Berlin cannot guarantee the security of your personal data if you send your application over
an unencrypted connection.