| Evaluating computational shortcuts in supercell-based phonon calculations of molecular crystals: the instructive case of naphthalene T Kamencek, S Wieser, H Kojima, N Bedoya-Martínez, JP Dürholt, ... Journal of Chemical Theory and Computation 16 (4), 2716-2735, 2020 | 27 | 2020 |
| Machine learned force-fields for an Ab-initio quality description of metal-organic frameworks S Wieser, E Zojer npj Computational Materials 10 (1), 18, 2024 | 26 | 2024 |
| Identifying the bottleneck for heat transport in metal–organic frameworks S Wieser, T Kamencek, JP Dürholt, R Schmid, N Bedoya‐Martínez, ... Advanced Theory and Simulations 4 (1), 2000211, 2021 | 19 | 2021 |
| Exploring the impact of the linker length on heat transport in metal–organic frameworks S Wieser, T Kamencek, R Schmid, N Bedoya-Martínez, E Zojer Nanomaterials 12 (13), 2142, 2022 | 6 | 2022 |
| Predicting Spin-Dependent Phonon Band Structures of HKUST-1 Using Density Functional Theory and Machine-Learned Interatomic Potentials N Strasser, S Wieser, E Zojer International Journal of Molecular Sciences 25 (5), 3023, 2024 | 4 | 2024 |
| Designing accurate moment tensor potentials for phonon-related properties of crystalline polymers L Reicht, L Legenstein, S Wieser, E Zojer Molecules 29 (16), 3724, 2024 | 2 | 2024 |
| Heat transport in crystalline organic semiconductors: coexistence of phonon propagation and tunneling L Legenstein, L Reicht, S Wieser, M Simoncelli, E Zojer npj Computational Materials 11 (1), 29, 2025 | | 2025 |
| Combining Brillouin Light Scattering Spectroscopy and Machine-Learned Interatomic Potentials to Probe Mechanical Properties of Metal-Organic Frameworks FP Lindner, N Strasser, M Schultze, S Wieser, C Slugovc, K Elsayad, ... The Journal of Physical Chemistry Letters 16, 1213-1220, 2025 | | 2025 |
| (Invited) Understanding Phonons and Thermal Transport in Metal-Organic Frameworks S Wieser, T Kamencek, N Bedoya-Martinez, R Schmid, JP Dürholt, ... Electrochemical Society Meeting Abstracts prime2020, 2019-2019, 2020 | | 2020 |
| Phonon-Related Properties in Metal-Organic Frameworks from First Principles T Kamencek, S Wieser, N Bedoya-Martínez, E Zojer 3rd International Conference on Metal Organic Frameworks and Porous Polymers, 2019 | | 2019 |
| Phonon-Related Properties in Metal-Organic Frameworks T Kamencek, S Wieser, N Bedoya-Martínez, E Zojer Porous Materials@ Work Summer School, 2019 | | 2019 |
| Understanding Heat-Transport Bottlenecks in Metal-Organic Frameworks E Zojer, S Wieser, T Kamencek, R Schmid, N Bedoya-Martínez | | |
| Modelling dynamic effects to determine transport properties in semiconducting MOFs containing 1D pentacene stacks R Steentjes, N Taghizade, S Wieser, E Zojer | | |
Egbert ZojerGraz University of TechnologyPatvirtintas el. paštas tugraz.at