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last updated: 9. August 2024
Personal data
Research
h-index: Web of Science (Google Scholar) = 53 (59); citations ~ 10200 (12900); ~230 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 publications:
Lukas Reicht, Lukas Legenstein, Sandro Wieser, and Egbert Zojer*, “ Designing Accurate Moment Tensor Potentials for Phonon-Related Properties of Crystalline Polymers”, Molecules 29, 3724 (2024); DOI: 10.3390/molecules29163724.
Mindaugas Gicevicius,* Ann Maria James, Lukas Reicht, Nemo McIntosh, Alessandro Greco, Lamiaa Fijahi, Felix Devaux, Marta Mas-Torrent, Jerrme Cornil, Yves Henri Geerts, Egbert Zojer, Roland Resel, Henning Sirringhaus*, “Impact of hydrophilic side chains on the thin film transistor performance of a benzothieno–benzothiophene derivative”, Mater. Adv., 5, 6285-6294 (2024); DOI: 10.1039/D4MA00594E
Jan C. Fischer, Robbin Steentjes, Dong-Hui Chen,* Bryce S. Richards, Egbert Zojer,* Christof Wöll, Ian A. Howard*, “Determining Structures of Layer-by-Layer Spin-Coated Zinc Dicarboxylate-Based Metal-Organic Thin Films”, Chemistry – A European Journal, 30, e202400565, (2024); DOI: 10.1002/chem.202400565.
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
Nina Strasser, Sandro Wieser, and Egbert Zojer*, “Predicting Spin-Dependent Phonon Band Structures of HKUST-1 Using Density Functional Theory and Machine-Learned Interatomic Potentials”, Int. J. Mol. Sci. 25(5), 3023 (2024); https://doi.org/10.3390/ijms25053023
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
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Institute of Solid State Physics
