Institute of Solid State Physics

Egbert Zojer

People in the Zojer group
Simon Jamnik
Florian P. Lindner
Marco Moser
Florian Unterkofler

News
   Tunneling Probability Increases with Distance in Junctions Comprising Self-assembled Monolayers of Oligothiophenes
   Embedded-dipole self-assembled monolayers tune contact resistances in p‐type and n‐type organic transistors
   Understanding the charge transfer between metals and molecules

Master projects available
The electrostatic design of materials
Understanding thermal transport in OSCs and MOFs using highly accurate machine-learned force-fields

Bachelor projects available
Understanding electronic and vibrational properties of organic semiconductors and framework structures using density-functional theory in combination with machine-learned force fields

Projects
   New design strategies for tuning electrode properties by SAMs
   Tuning the electronic properties of SAMs by embedded molecular dipoles
   Reliably modeling the electronic structure of self-assembled monolayers
   FWF: Computational Nanotechnology
   FWF: Organic Thin Film Transistors as Chemical Sensors
   Marie-Curie ITN: THINFACE
   Thermal behavior of OLEDs: A holistic approach

Courses
   513.042 Optoelectronic Semiconductor Devices
   513.120 Solid State Physics Laboratory Exercises
   513.123 Bachelor Project
   513.127 513.128 Seminar Solid State Physics
   513.141 Organic Semiconductors - Fundamentals and Applications
   513.300 Introduction to Solid State Physics
   PHT.307 Advanced Solid State Physics

last updated: 30. January 2026

Personal data

Research

h-index: Web of Science (Google Scholar) = 55 (63); citations ~ 11000 (13900); ~240 peer reviewed publications

Research Interests

Phonons and heat transport in organic semiconductors and metal-organic frameworks (MOFs); identification of MOF thin-film structres; electrostatic design of materials. techniques: quantum-mechanical (band-structure) simulations and molecular dynamics simulations usingmachine-learned force fields

Recent highlights:

Lukas Reicht, Lukas Legenstein, Sandro Wieser, and Egbert Zojer, “Analyzing Heat Transport in Crystalline Polymers in Real and Reciprocal Space“, npj Computational Materials, in print.
Lukas Legenstein, Lukas Reicht, Sandro Wieser, Michele Simoncelli, Egbert Zojer*, “Heat transport in crystalline organic semiconductors: coexistence of phonon propagation and tunneling”, npj Computational Materials 11, 29 (2025). DOI: https://doi.org/10.1038/s41524-025-01514-8
Florian P. Lindner,* Nina Strasser, Martin Schultze, Sandro Wieser, Christian Slugovc, Kareem Elsayad, Kristie J. Koski, Egbert Zojer, Caterina Czibula*, “Combining Brillouin spectroscopy and machine learned interatomic potentials to probe mechanical properties of metal organic frameworks”, J. Phys. Chem. Lett. 16, 1213–1220 (2025). DOI: https://doi.org/10.1021/acs.jpclett.4c03070
Egbert Zojer,* “Tuning the electrostatic energy landscape within the pores of covalent organic frameworks: post-synthetic modification reactions and structural imperfections”, J. Mater. Chem. A (2024), Journal of Materials Chemistry A, 12, 10166-10184 (2024). DOI: 10.1039/D3TA06996F
Egbert Zojer,* “Electrostatically Designing Materials and Interfaces”, Adv. Mater., 2406178 (2024); DOI: 10.1002/adma.202406178
Sandro Wieser and Egbert Zojer, “Machine learned force-fields for an Ab-initio quality description of metal-organic frameworks”, npj Comput Mater 10, 18 (2024); DOI: 10.1038/s41524-024-01205-w
L. Legenstein, L. Reicht, T. Kamencek, and Egbert Zojer*, “Anisotropic Phonon Bands in H-Bonded Molecular Crystals: The Instructive Case of alpha-Quinacridone”, ACS Mater. Au 3, 371-385 (2023); DOI: 10.1021/acsmaterialsau.3c00011
E. Zojer*, “Electrostatic Design of the Nanoscale Internal Surfaces of Porous Covalent Organic Frameworks”, Nano Lett. 23, 3558–3564 (2023); DOI: 10.1021/acs.nanolett.3c00722