| AiiDAlab–an ecosystem for developing, executing, and sharing scientific workflows AV Yakutovich, K Eimre, O Schütt, L Talirz, CS Adorf, CW Andersen, ... Computational Materials Science 188, 110165, 2021 | 67 | 2021 |
| Vibrational spectroscopy by means of first‐principles molecular dynamics simulations E Ditler, S Luber Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (5), e1605, 2022 | 63 | 2022 |
| Massive Dirac fermion behavior in a low bandgap graphene nanoribbon near a topological phase boundary Q Sun, O Gröning, J Overbeck, O Braun, ML Perrin, G Borin Barin, ... Advanced materials 32 (12), 1906054, 2020 | 63 | 2020 |
| Implementation of nuclear velocity perturbation and magnetic field perturbation theory in CP2K and their application to vibrational circular dichroism E Ditler, T Zimmermann, C Kumar, S Luber Journal of Chemical Theory and Computation 18 (4), 2448-2461, 2022 | 14 | 2022 |
| Analytic calculation and analysis of atomic polar tensors for molecules and materials using the Gaussian and plane waves approach E Ditler, C Kumar, S Luber The Journal of Chemical Physics 154 (10), 2021 | 10 | 2021 |
| The position operator problem in periodic calculations with an emphasis on theoretical spectroscopy E Ditler, J Mattiat, S Luber Physical Chemistry Chemical Physics 25 (21), 14672-14685, 2023 | 6 | 2023 |
| Vibrational circular dichroism spectra of natural products by means of the nuclear velocity perturbation theory E Ditler, C Kumar, S Luber Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 298, 122769, 2023 | 3 | 2023 |
| Chiral vibrational spectroscopy with the nuclear velocity perturbation theory and the magnetic field perturbation theory E Ditler University of Zurich, 2023 | | 2023 |
| Device Integration of Atomically precise Graphene Nanoribbons (GNRs) O Braun, J Overbeck, M Perrin, G Borin Barin, M El Abbassi, Q Sun, ... APS March Meeting Abstracts 2021, C56. 002, 2021 | | 2021 |
| Discovering new materials with the AiiDAlab platform: examples from a combined computational/experimental research laboratory AV Yakutovich, K Eimre, O Schütt, L Talirz, CS Adorf, CW Andersen, ... APS March Meeting Abstracts 2021, M41. 003, 2021 | | 2021 |
| rsc. li/pccp S Takahashi, S Iuchi, S Hiraoka, H Sato, E Ditler, J Mattiat, S Luber | | |
