1,551 to 1,560 of 2,554 Results
Mar 29, 2022 - Projects without PN Affiliation
Hermann, Sibylle, 2022, "Case Study Database for: Documenting Research Software in Engineering Science", https://doi.org/10.18419/DARUS-2681, DaRUS, V1, UNF:6:b7kyHlt+OvbLE/xZr7JtHQ== [fileUNF]
This dataset contains the collected data of a case study on the documentation of research software in the institutional everyday life of engineering scientists. All files beginning with "Notes" contain personal thoughts and transcripts. More detailed descriptions about the content of the files are located directly on the file. |
Mar 29, 2022 - PN 6
Holzmüller, David, 2022, "Replication Data for: Fast Sparse Grid Operations using the Unidirectional Principle: A Generalized and Unified Framework", https://doi.org/10.18419/DARUS-1779, DaRUS, V1, UNF:6:aIyuHfDcWPT9LJvtkCge9w== [fileUNF]
This dataset contains supplementary code for the paper Fast Sparse Grid Operations using the Unidirectional Principle: A Generalized and Unified Framework. The code is also provided on GitHub. Here, we additionally provide the runtime measurement data generated by the code, which was used to generate the runtime plot in the paper. For more details,... |
Mar 25, 2022 - EXC IntCDC RP 10: Co-Design from Architectural, Historical and Social Science Perspectives
Svatoš-Ražnjević, Hana; Menges, Achim, 2022, "Multi-storey Timber Buildings Data: Architectural and Structural Data on 350 Mass-Timber Projects from 2000-2021", https://doi.org/10.18419/DARUS-2733, DaRUS, V1, UNF:6:xlRfMRPJi3bK2P5FAkxLhw== [fileUNF]
This repository contains a collection of data on 350 contemporary multi-storey timber building projects. The dataset consists of information on 300 projects built between 2000 and 2021, 12 projects in construction, and 38 design proposals. The dataset consists of quantitative and qualitative project data including classification of projects based o... |
Mar 25, 2022 - Thin Film Water on NaCl(100)
Gravelle, Simon, 2022, "Movies of thin film water on rough NaCl surface", https://doi.org/10.18419/DARUS-2770, DaRUS, V1
Videos showing water molecules at a rough sodium chloride solid surface for different roughness and different water chemical potential. The force field for the water is TIP4P/epsilon (https://doi.org/10.1021/jp410865y), and the force field for the ions is from Loche et al. (https://doi.org/10.1021/acs.jpcb.1c05303). The trajectories have been gener... |
Mar 25, 2022 - Thin Film Water on NaCl(100)
Gravelle, Simon, 2022, "Molecular simulation scripts for thin film water on NaCl surface", https://doi.org/10.18419/DARUS-2726, DaRUS, V1
LAMMPS and GROMACS molecular simulation input files. The system consists of thin film water confined in a 7 nm NaCl slit pore, and can be generated using the Python scripts in SystemGeneration. The simulation is either equilibrium molecular dynamics (EMD), non equilibrium molecular dynamics (NEMD), or hybrid grand canonical Monte Carlo - equilibriu... |
Mar 25, 2022 - Thin Film Water on NaCl(100)
Gravelle, Simon, 2022, "Movies of thin film water on NaCl(100) surface", https://doi.org/10.18419/DARUS-2697, DaRUS, V1
Videos showing water molecules at a sodium chloride (NaCl) solid surface for different water content. The force field for the water is TIP4P/epsilon (https://doi.org/10.1021/jp410865y), and the force field for the ions is from Loche et al. (https://doi.org/10.1021/acs.jpcb.1c05303). The trajectories have been generated using the GROMACS simulation... |
Mar 22, 2022 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2022, "Replication data of C4 group for: "Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions"", https://doi.org/10.18419/DARUS-2228, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations, single-point calculations, and IBO calculations. Furthermore, thermal corrections for the calculation of the equilibrium constants are listed. Additionally, the spreadsheet with the collected data and the figures with the visualizations of the IBOs are listed... |
Mar 22, 2022 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2022, "Replication data of Kästner group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/DARUS-2325, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations including population analysis (Natural population analysis, Hirshfeld population analysis, CM5 population analysis). Additionally, the spreadsheet with the calculations of the partial charges of the fragments is listed. |
Mar 21, 2022 - Dissertation Cristobal Tapia
Tapia Camú, Cristóbal, 2022, "Source code for: Stuttgart Stochastic Strength Glulam Model (S3GluM)", https://doi.org/10.18419/DARUS-1155, DaRUS, V1
This repository contains the stochastic finite element model developed to study the stiffness and strength variation of glulam beams. The S3GluM model was developed during the PhD thesis of Cristóbal Tapia Camú. |
Mar 21, 2022 - SFB 1333 C1 - Dyballa group, ITC
Li, Zheng, 2022, "Publication data for: "Confinement and surface sites control methanol adsorbate stability on MFI zeolites, SBA-15, and a silica-supported heteropoly acid" - data from C1 group", https://doi.org/10.18419/DARUS-2691, DaRUS, V1, UNF:6:rP/E6YyqURL4Edf0ULJOaQ== [fileUNF]
All primary data files and processed data of the journal article from C1 group. Containing MAS NMR and IR data. NMR data (.dx-file) can be opened with Topspin. |
