1 to 10 of 46 Results
Dec 22, 2023 - SFB 1333 C6 - Holm group, ICP
Tischler, Ingo; Schlaich, Alexander; Holm, Christian, 2023, "Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"", https://doi.org/10.18419/darus-3642, DaRUS, V1
The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: compressed (tar) text... |
Dec 14, 2023 - Materials Design
Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/darus-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF]
Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentia... |
Dec 4, 2023 - Institute for Modelling and Simulation of Biomechanical Systems
Schmid, Laura; Klotz, Thomas; Röhrle, Oliver; Powers, Randall K.; Negro, Francesco; Yavuz, Utku S., 2023, "Replication Data for “Postinhibitory excitation in motoneurons can be facilitated by hyperpolarization-activated inward currents: a simulation study”", https://doi.org/10.18419/darus-3686, DaRUS, V1
This dataset contains spiketrains from experimental as well as simulated motoneurons that were analysed for the publication Postinhibitory excitation in motoneurons can be facilitated by hyperpolarization-activated inward currents: a simulation study. Abstract: Postinhibitory exc... |
Nov 17, 2023 - PN 7-6
Kneifl, Jonas; Fehr, Jörg, 2023, "Crash Simulations of a Racing Kart's Structural Frame Colliding against a Rigid Wall", https://doi.org/10.18419/darus-3789, DaRUS, V1
Crash Simulations of a Racing Kart Frame Model This dataset contains results for several crash simulations of the frame of a racing kart colliding against a rigid wall. The wall and the frame itself are modeled as finite element models, implemented in the commercial software tool... |
Potyka, Johanna; Schulte, Kathrin, 2023, "Setups for and Outcomes of Immiscible Liquid Droplet Collision Simulations", https://doi.org/10.18419/darus-3557, DaRUS, V3, UNF:6:qeJBCuC11BIa6WGzldHxhw== [fileUNF]
Tabulated data of the setups and outcomes of the immiscible liquid and single liquid droplet collisions for the publication Johanna Potyka, Kathrin Schulte: A volume of fluid method for three dimensional direct numerical simulations of immiscible droplet collisions, International... |
Oct 31, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2023, "Replication data of Kästner group for: "Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis"", https://doi.org/10.18419/darus-3561, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and files from the conformational sampling. Furthermore, the spreadsheet with the collected data and the figures with the visualizations of the structures are l... |
Oct 19, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Klostermann, Sina; Kästner, Johannes, 2023, "Replication data of Kästner group for: "How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study"", https://doi.org/10.18419/darus-3668, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the data are named similar to the nomenclature in the publication. All structures are named "*.xyz" and the i... |
Yang, Jie; Kondrat, Svyatoslav; Lian, Cheng; Liu, Honglai; Schlaich, Alexander; Holm, Christian, 2023, "Replication Data for: Solvent Effects on Structure and Screening in Confined Electrolytes", https://doi.org/10.18419/darus-3743, DaRUS, V1, UNF:6:KtlgApor9/WXUtTKp63TBw== [fileUNF]
This is the repository holding the data and python scripts we used for creating the corresponding figures in the publication. Tabular files include the ion and solvent (for solvent-explicit simulations) densiies for a hard-sphere primitive electrolyte model confined between two c... |
Oct 12, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Segreto, Nico; Kästner, Johannes, 2023, "Replication data of Kästner group for: "Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields"", https://doi.org/10.18419/darus-3693, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimized structures as xyz-files and all input-files for the calculations as chm-files. |
Mandl, Alexander; Barzen, Johanna; Leymann, Frank; Mangold, Victoria; Riegel, Benedikt; Vietz, Daniel; Winterhalter, Felix, 2023, "Data Repository for: On Reducing the Amount of Samples Required for Training of QNNs", https://doi.org/10.18419/darus-3442, DaRUS, V1
Simulation experiment data for training Quantum Neural Networks (QNNs) using entangled datasets. The experiments investigate the validity of the lower bounds for the expected risk after training QNNs given by the extensions to the Quantum No-Free-Lunch theorem presented in the re... |
