Goethe University Data Repository (GUDe)
The archiving and publication platform for scientific research data at Goethe University Frankfurt.
The Goethe University Data Repository (GUDe) provides a platform for its members to electronically archive, share, and publish their research data. GUDe is jointly operated by the University Library and the University Data Center of the Goethe University. The metadata of all public content is freely available and indexed by search engines as well as scientific web services. GUDe follows the FAIR principles for long-term accessibility (minimum 10 years), allows for reliable citation via DOIs as well as cooperative access to non-public data and operates on DSpace-CRIS v7.
If you have any questions regarding the use of GUDe, please consult the user documentation.
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- Research DataNonlinear Spectroscopy as a Magnon Breakdown Diagnosis and its Efficient Simulation2026-01-29Identifying quantum spin liquids, magnon breakdown, or fractionalized excitations in quantum magnets is an ongoing challenge due to the ambiguity in interpreting excitation continua occurring in linear response probes. Recently, it was proposed that techniques measuring higher-order response, such as two-dimensional coherent spectroscopy (2DCS), could resolve such ambiguities. Numerically simulating nonlinear response functions can, however, be computationally very demanding. We present an efficient Lanczos-based method to compute second-order susceptibilities $\chi^{2}(\omega_t,\omega_\tau)$ directly in the frequency domain. Applying this to extended Kitaev models describing α-RuCl3, we find qualitatively different nonlinear responses between intermediate magnetic field strengths and the high-field regime. To put these results into context, we derive the general 2DCS response of partially-polarized magnets within the linear spin-wave approximation, establishing that \chi^2(\omega_t,\omega_\tau)$ is restricted to a distinct universal form if the excitations are conventional magnons. Deviations from this form, as predicted in our Lanczos-based simulations for α-RuCl3, can hence serve in 2DCS experiments as direct criteria to determine whether an observed excitation continuum is of conventional two-magnon type or of different nature.
18 9 - Research DataFunctional renormalization group for extremely correlated electrons2026-01-27At strong on-site repulsion U, the fermionic Hubbard model realizes an extremely correlated electron system. In this regime, it is natural to derive the low-energy physics with the help of non-canonical operators acting on a projected Hilbert space without double occupancies. Using a strong-coupling functional renormalization group technique, we study the physics of such extreme correlations in the strict U=∞ limit, where only kinematic interactions due to the Hilbert space projection remain. For nearest-neighbor hopping on a square lattice, we find that the electronic spectrum is significantly renormalized, with bandwidth and quasi-particle residue strongly decreasing with increasing electron density. On the other hand, damping and particle-hole asymmetry increase, while a polaronic continuum forms in the hole sector, below the single-particle band. Fermi liquid phenomenology applies only at low densities, where the system remains paramagnetic. At higher densities, we find a bad metal with strong magnetic correlations, indicating that the ground state is the Nagaoka ferromagnet at high densities and a stripe antiferromagnet at intermediate densities. Both in the paramagnetic and the ferromagnetic regimes, we observe a violation of Luttinger's theorem.
11 1 - Research DataATP-driven conformational dynamics reveal hidden intermediates in a heterodimeric ABC transporter2026-01-16ATP-binding cassette (ABC) transporters are essential molecular machines whose conformational dynamics have largely been inferred from ensemble-averaged measurements. Resolving dynamic heterogeneity and transient intermediates, however, requires single-molecule approaches. Here, we use single-molecule Förster resonance energy transfer (smFRET) to directly monitor conformational changes of the heterodimeric type IV ABC transporter TmrAB, a functional homolog of the human antigen transporter TAP. Fluorophores positioned at the nucleotide-binding domains and the periplasmic gate were validated by accessible-volume simulations, fluorescence lifetimes, and ensemble FRET, demonstrating that these reporters reliably track conformational transitions. Single-molecule analysis distinguishes ATP-free and ATP-bound states and reveals ATP-dependent population shifts from micromolar to physiological ATP concentrations. Probing conformational dwell-times further uncovers an unexpectedly long ATP-bound dwell time of ~300 ms. Using complementary stabilization strategies–including a slow-turnover variant, Mg²⁺ depletion, or substrate trans-inhibition–we resolve a previously hidden outward-facing open state that rapidly interconverts with occluded intermediates under turnover conditions. These results provide the first single-molecule characterization of TmrAB and establish a general framework for dissecting ATP-coupled conformational dynamics in heterodimeric ABC transporters.
12 1 - Research DataDiverging pH dependence and photocycle dynamics across members of the CryoRhodopsin clade2026-01-15A new clade of microbial rhodopsins (MRs) called CryoRhodopsins (CryoRs) was recently discovered and characterized to possess a near-UV-absorbing intermediate populated for minutes at neutral to alkaline conditions. A detailed characterization of one member, CryoR1, showed a strong pH dependence, causing a hindered retinal isomerization and a significant acceleration of the photocycle dynamics at acidic conditions. Here, we present a spectroscopic study on the pH dependence of four other CryoRs (CryoR2-5), revealing strongly deviating photophysical properties within this subfamily under acidic conditions. While all investigated CryoRs possess a minute long photocycle duration at neutral to alkaline conditions, acidification shortens the photocycle to seconds and leads to variation in the observed photocycle schemes. Furthermore, this is not directly reflected in the absorption spectra and initial photoreactions, since CryoR4 and CryoR5 show very weak pH dependence, while CryoR2 and CryoR3 do show pH dependent shifts. In addition, CryoR3 is unique within both CryoRs and MRs in general, since a near-UV-absorbing species is clearly present throughout the whole pH range in the dark spectrum. The observed diversity suggests strong mechanistic divergence within this clade of MRs, a feature that was not observed for other clades of MRs. It also further supports functional relevance of the long-living near-UV-absorbing state of CryoRs under neutral and alkaline conditions.
12 2 - Research DataDissertation Chihab2026-01-12Diese Dissertationsstudie untersucht, welche Denk- und Handlungsweisen angehende Geogra-phielehrkräfte im Kontext von Rassismus und sozialen Medien orientieren und wie diese ihre anvisierte professionelle Praxis informieren. Damit reagiert die Studie auf Desiderata hinsicht-lich Untersuchung der Bedeutung rassismusrelevanter Bildungs- und Subjektivierungsbedingungen für die geographische Lehrkräftebildung. Die Fallstudie basiert auf einer qualitativ-rekonstruktiven Analyse von Gruppendiskussionen mit Geographielehramtsstudierenden. Mithilfe der dokumentarischen Methode werden zwei kontrastierende Habitus rekonstruiert: ein Habitus der Enthaltung, der durch Dissonanzvermeidung und die Externalisierung pädagogischer Verantwortung gekennzeichnet ist, sowie ein Habitus der Involvierung, der auf die aktive Thematisierung rassistischer Gewalt zielt, dabei jedoch selbst zur Reproduktion rassistischer Verhältnisse beitragen kann. Ein ergänzender Fragebogen verweist auf die Soziogenese der Habitus und macht deutlich, dass sie wesentlich durch unterschiedliche Zugehörigkeitserfahrungen in rassistischen Ordnungssystemen geprägt sind. Die Ergebnisse liefern konzeptionelle Impulse für eine kritisch-reflexive Professionalisierung in der geographischen Lehrkräftebildung, die Rassismuserfahrungen, Logiken digitaler Öffentlichkeiten und Ambivalenzen vermeintlich gesicherter pädagogischer Handlungsmaximen als relevante Relationierungsebenen einbezieht.
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- Research DataThe global water resources and use model WaterGAP v2.2e - model output driven by gswp3-w5e5 and historical setup of direct human impacts2023-10-20Trautmann, TimAckermann, SebastianCáceres, DeniseFlörke, MartinaGerdener, HelenaKynast, EllenPeiris, Thedini AsaliSchiebener, LeonieSchumacher, MaikeAssessing global freshwater resources and human water use is of value for a number of needs but challenging. The global water use and water availability model WaterGAP has been in development since 1996 and has served a range of applications such as assessments of global water resources and water stress, also under the impact of climate change, drought hazard quantification, Life Cycle Assessments, water (over)use and consequently depletion of water resources and a better understanding of terrestrial water storage variations (jointly with satellite observations). Here, the reader can download model output for the time period 1901-2019 that was computed by driving WaterGAP v2.2e by four alternative climate datasets (climate forcings) that were generated in the ISIMIP context (https://www.isimip.org) and are described in https://data.isimip.org/10.48364/ISIMIP.982724. For two climate datasets, model runs up to 2021 or 2022 are available. For comparison, output of a version of WaterGAP v2.2d that is calibrated to the same dataset of observed streamflow as WaterGAP v2.2e is provided. Each of the climate forcing-model version combinations is run in two socio-economic settings, histsoc and nosoc. In nosoc, human water use is set to zero and man-made reservoirs are assumed to be non-existant. In the paper connected to this dataset (to be submitted to Geoscientific Model Development), the newest model version, WaterGAP v2.2e is described by providing the modifications to the previous version v2.2d (Müller Schmied et al. 2021) and the corresponding changes in model output. The most important and requested model outputs (total water storage variations, streamflow and water use) are evaluated against observation data. Standard model output is described as well as the specifics of the WaterGAP contribution within the ISIMIP framework. Müller Schmied, H., Cáceres, D., Eisner, S., Flörke, M., Herbert, C., Niemann, C., Peiris, T. A., Popat, E., Portmann, F. T., Reinecke, R., Schumacher, M., Shadkam, S., Telteu, C.-E., Trautmann, T., Döll, P. (2021): The global water resources and use model WaterGAP v2.2d: Model description and evaluation. Geosci. Model Dev., 14, 1037–1079. https://doi.org/10.5194/gmd-14-1037-2021
1361 952 - Research DataThe global water resources and use model WaterGAP v2.2e - model output driven by gswp3-era5 and historical setup of direct human impacts2023-10-20Trautmann, TimAckermann, SebastianCáceres, DeniseFlörke, MartinaGerdener, HelenaKynast, EllenPeiris, Thedini AsaliSchiebener, LeonieSchumacher, MaikeAssessing global freshwater resources and human water use is of value for a number of needs but challenging. The global water use and water availability model WaterGAP has been in development since 1996 and has served a range of applications such as assessments of global water resources and water stress, also under the impact of climate change, drought hazard quantification, Life Cycle Assessments, water (over)use and consequently depletion of water resources and a better understanding of terrestrial water storage variations (jointly with satellite observations). Here, the reader can download model output for the time period 1901-2019 that was computed by driving WaterGAP v2.2e by four alternative climate datasets (climate forcings) that were generated in the ISIMIP context (https://www.isimip.org) and are described in https://data.isimip.org/10.48364/ISIMIP.982724. For two climate datasets, model runs up to 2021 or 2023 are available. For comparison, output of a version of WaterGAP v2.2d that is calibrated to the same dataset of observed streamflow as WaterGAP v2.2e is provided. Each of the climate forcing-model version combinations is run in two socio-economic settings, histsoc and nosoc. In nosoc, human water use is set to zero and man-made reservoirs are assumed to be non-existant. In the paper connected to this dataset (in review with Geoscientific Model Development), the newest model version, WaterGAP v2.2e is described by providing the modifications to the previous version v2.2d (Müller Schmied et al. 2021) and the corresponding changes in model output. The most important and requested model outputs (total water storage variations, streamflow and water use) are evaluated against observation data. Standard model output is described as well as the specifics of the WaterGAP contribution within the ISIMIP framework. Müller Schmied, H., Cáceres, D., Eisner, S., Flörke, M., Herbert, C., Niemann, C., Peiris, T. A., Popat, E., Portmann, F. T., Reinecke, R., Schumacher, M., Shadkam, S., Telteu, C.-E., Trautmann, T., Döll, P. (2021): The global water resources and use model WaterGAP v2.2d: Model description and evaluation. Geosci. Model Dev., 14, 1037–1079. https://doi.org/10.5194/gmd-14-1037-2021
829 944 - Research DataA j_eff 12 Kitaev material on the triangular lattice: The case of NaRuO22023-06-07Motivated by recent reports of a quantum disordered ground state in the triangular lattice compound NaRuO$_2$, we derive a $j_{\rm eff}=1/2$ magnetic model for this system by means of first-principles calculations. The pseudospin Hamiltonian is dominated by bond-dependent off-diagonal $\Gamma$ interactions, complemented by a ferromagnetic Heisenberg exchange and a notably \emph{antiferromagnetic} Kitaev term. In addition to bilinear interactions, we find a sizable four-spin ring exchange contribution with a \emph{strongly anisotropic} character, which has been so far overlooked when modeling Kitaev materials. The analysis of the magnetic model, based on the minimization of the classical energy and exact diagonalization of the quantum Hamiltonian, points toward the existence of a rather robust easy-plane ferromagnetic order, which cannot be easily destabilized by physically relevant perturbations.
366 40 - Research DataThe global water resources and use model WaterGAP v2.2e - daily water storage model output driven by gswp3-era5 and historical setup of direct human impacts2024-04-04Trautmann, TimAckermann, SebastianCáceres, DeniseFlörke, MartinaGerdener, HelenaKynast, EllenPeiris, Thedini AsaliSchiebener, LeonieSchumacher, MaikeAssessing global freshwater resources and human water use is of value for a number of needs but challenging. The global water use and water availability model WaterGAP has been in development since 1996 and has served a range of applications such as assessments of global water resources and water stress, also under the impact of climate change, drought hazard quantification, Life Cycle Assessments, water (over)use and consequently depletion of water resources and a better understanding of terrestrial water storage variations (jointly with satellite observations). Here, the reader can download daily model output for water storage variables for the time period 1901-2019 (2023) that was computed by driving WaterGAP v2.2e by two alternative climate datasets (climate forcings) that were generated in the ISIMIP context (https://www.isimip.org) and are described in https://data.isimip.org/10.48364/ISIMIP.982724. In the paper connected to this dataset (in review with Geoscientific Model Development), the newest model version, WaterGAP v2.2e is described by providing the modifications to the previous version v2.2d (Müller Schmied et al. 2021) and the corresponding changes in model output. Here, the single water storage compartments and terrestrial (total) water storage are provided.
342 286 - Research DataClimate forcing GSWP3-ERA5 as input for the global hydrological model WaterGAP2024-06-19This dataset contains the climate data for the 4 variables (pr, tas, rsds, rlds) to run the Python-Version of WaterGAP. For details please see the ReWaterGAP documentation (https://hydrologyfrankfurt.github.io/ReWaterGAP/).
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