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Funding Information Agency: DFG Subject: Physics Funding Information Agency: European Commission

1 to 10 of 15 Results

Data for: The silicon vacancy centers in SiC: determination of intrinsic spin dynamics for integrated quantum photonics May 29, 2024 - 3rd Physics Institute Liu, Di, 2024, "Data for: The silicon vacancy centers in SiC: determination of intrinsic spin dynamics for integrated quantum photonics", https://doi.org/10.18419/darus-4226, DaRUS, V1, UNF:6:T9zmgDKrhoWAtKZh6Xavew== [fileUNF] Datasets are for reproducing the measured data points and simulated/calculated theory curves in the figures depicted in the main text and supplement. The abbreviations in the datasets correspond to the figure captions in the journal version to be published. The respective subpane...
GALÆXI Verification: Convergence Tests May 3, 2024 - Supplementary Data: GALÆXI Paper Kurz, Marius; Kempf, Daniel; Blind, Marcel P.; Kopper, Patrick; Offenhäuser, Philipp; Schwarz, Anna; Starr, Spencer; Keim, Jens; Beck, Andrea, 2024, "GALÆXI Verification: Convergence Tests", https://doi.org/10.18419/darus-4155, DaRUS, V1, UNF:6:vL1WFzY+Nmd1P5y9jFLWLg== [fileUNF] This Dataset contains the setup and the results of the convergence tests which are reported in the GALÆXI Paper (Section 5.1). The results are contained in the file results.txt. The used case is based on the method of manufactured solution. The detailed formulation is specified i...
GALÆXI Validation: Taylor-Green Vortex May 3, 2024 - Supplementary Data: GALÆXI Paper Kurz, Marius; Kempf, Daniel; Blind, Marcel P.; Kopper, Patrick; Offenhäuser, Philipp; Schwarz, Anna; Starr, Spencer; Keim, Jens; Beck, Andrea, 2024, "GALÆXI Validation: Taylor-Green Vortex", https://doi.org/10.18419/darus-4139, DaRUS, V1, UNF:6:Q71FGjHTEHnKVAq/VkFpXA== [fileUNF] This Dataset contains the test case definition and reference data for the Taylor-Green Vortex (TGV) test case which builds the validation test case in the GALÆXI Paper (Section 5). Incompressible TGV (Ma=0.1) according to (Link): J. DeBonis, Solutions of the Taylor–Green vortex p...
GALÆXI Scaling May 3, 2024 - Supplementary Data: GALÆXI Paper Kurz, Marius; Kempf, Daniel; Blind, Marcel P.; Kopper, Patrick; Offenhäuser, Philipp; Schwarz, Anna; Starr, Spencer; Keim, Jens; Beck, Andrea, 2024, "GALÆXI Scaling", https://doi.org/10.18419/darus-4140, DaRUS, V1, UNF:6:q8ZbcGhBxtm6VlmuTlqskA== [fileUNF] This Dataset contains the results of the scaling test cases of the GALÆXI Paper (Section 4). The scaling behavior is evaluated using simulations with resolutions ranging from 16384 up to 8.6x109 degrees of freedom using up to 1024 GPUs on JUWELS booster. The provided results cont...
GALÆXI Application: NASA Rotor 37 May 3, 2024 - Supplementary Data: GALÆXI Paper Kurz, Marius; Kempf, Daniel; Blind, Marcel P.; Kopper, Patrick; Offenhäuser, Philipp; Schwarz, Anna; Starr, Spencer; Keim, Jens; Beck, Andrea, 2024, "GALÆXI Application: NASA Rotor 37", https://doi.org/10.18419/darus-4138, DaRUS, V1 This Dataset contains the setup data for the NASA Rotor 37 test case which corresponds to the application section in the GALÆXI Paper (Section 6). Reference (Link): L. Reid, R. D. Moore, Design and overall performance of four highly loaded, high speed inlet stages for an advanced...
Data for: Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom Mar 8, 2024 - Materials Design Srinivasan, Prashanth; Demuriya, David; Grabowski, Blazej; Shapeev, Alexander, 2024, "Data for: Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom", https://doi.org/10.18419/darus-3891, DaRUS, V1 Data for "Srinivasan, P., Demuriya, D., Grabowski, B. et al. Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom. npj Comput Mater 10, 41 (2024). doi:10.1038/s41524-024-01222-9 The dataset contains three folders: Data for the four figure...
Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition 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...
Molecular simulation scripts for slit nanopores with tunable hydrophilicity Oct 11, 2023 - NMR insights into nanoconfined water using the surface exchange model Gravelle, Simon, 2023, "Molecular simulation scripts for slit nanopores with tunable hydrophilicity", https://doi.org/10.18419/darus-3732, DaRUS, V1 GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the bash script run_gmx.sh to run GROMACS. See the README.md file.
Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals May 12, 2023 - Materials Design Forslund, Axel; Jung, Jong Hyun; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals", https://doi.org/10.18419/darus-3339, DaRUS, V1 Data for the publication Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals, Phys. Rev. B 107, 174309 (2023). This data set contains - the training sets (VAS...
Replication Data for: Anti-Zeno purification of spin baths by quantum probe measurements Dec 6, 2022 - 3rd Physics Institute Dasari, Durga, 2022, "Replication Data for: Anti-Zeno purification of spin baths by quantum probe measurements", https://doi.org/10.18419/darus-3262, DaRUS, V2, UNF:6:5LGVz9ukvWRrstHZVproWQ== [fileUNF] Datasets to reproduce all plots in the paper. Each spreadsheet (xls file) contains the horizontal and vertical data of a subfigure. The experimental data is produced from the low temperature confocal microscopy setup measuring the fluorescence (photon count) of a color center in...

Data for: The silicon vacancy centers in SiC: determination of intrinsic spin dynamics for integrated quantum photonics

May 29, 2024 - 3rd Physics Institute

Liu, Di, 2024, "Data for: The silicon vacancy centers in SiC: determination of intrinsic spin dynamics for integrated quantum photonics", https://doi.org/10.18419/darus-4226, DaRUS, V1, UNF:6:T9zmgDKrhoWAtKZh6Xavew== [fileUNF]

Datasets are for reproducing the measured data points and simulated/calculated theory curves in the figures depicted in the main text and supplement. The abbreviations in the datasets correspond to the figure captions in the journal version to be published. The respective subpane...

GALÆXI Verification: Convergence Tests

May 3, 2024 - Supplementary Data: GALÆXI Paper

Kurz, Marius; Kempf, Daniel; Blind, Marcel P.; Kopper, Patrick; Offenhäuser, Philipp; Schwarz, Anna; Starr, Spencer; Keim, Jens; Beck, Andrea, 2024, "GALÆXI Verification: Convergence Tests", https://doi.org/10.18419/darus-4155, DaRUS, V1, UNF:6:vL1WFzY+Nmd1P5y9jFLWLg== [fileUNF]

This Dataset contains the setup and the results of the convergence tests which are reported in the GALÆXI Paper (Section 5.1). The results are contained in the file results.txt. The used case is based on the method of manufactured solution. The detailed formulation is specified i...

GALÆXI Validation: Taylor-Green Vortex

May 3, 2024 - Supplementary Data: GALÆXI Paper

Kurz, Marius; Kempf, Daniel; Blind, Marcel P.; Kopper, Patrick; Offenhäuser, Philipp; Schwarz, Anna; Starr, Spencer; Keim, Jens; Beck, Andrea, 2024, "GALÆXI Validation: Taylor-Green Vortex", https://doi.org/10.18419/darus-4139, DaRUS, V1, UNF:6:Q71FGjHTEHnKVAq/VkFpXA== [fileUNF]

This Dataset contains the test case definition and reference data for the Taylor-Green Vortex (TGV) test case which builds the validation test case in the GALÆXI Paper (Section 5). Incompressible TGV (Ma=0.1) according to (Link): J. DeBonis, Solutions of the Taylor–Green vortex p...

GALÆXI Scaling

May 3, 2024 - Supplementary Data: GALÆXI Paper

Kurz, Marius; Kempf, Daniel; Blind, Marcel P.; Kopper, Patrick; Offenhäuser, Philipp; Schwarz, Anna; Starr, Spencer; Keim, Jens; Beck, Andrea, 2024, "GALÆXI Scaling", https://doi.org/10.18419/darus-4140, DaRUS, V1, UNF:6:q8ZbcGhBxtm6VlmuTlqskA== [fileUNF]

This Dataset contains the results of the scaling test cases of the GALÆXI Paper (Section 4). The scaling behavior is evaluated using simulations with resolutions ranging from 16384 up to 8.6x109 degrees of freedom using up to 1024 GPUs on JUWELS booster. The provided results cont...

GALÆXI Application: NASA Rotor 37

May 3, 2024 - Supplementary Data: GALÆXI Paper

Kurz, Marius; Kempf, Daniel; Blind, Marcel P.; Kopper, Patrick; Offenhäuser, Philipp; Schwarz, Anna; Starr, Spencer; Keim, Jens; Beck, Andrea, 2024, "GALÆXI Application: NASA Rotor 37", https://doi.org/10.18419/darus-4138, DaRUS, V1

This Dataset contains the setup data for the NASA Rotor 37 test case which corresponds to the application section in the GALÆXI Paper (Section 6). Reference (Link): L. Reid, R. D. Moore, Design and overall performance of four highly loaded, high speed inlet stages for an advanced...

Data for: Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom

Mar 8, 2024 - Materials Design

Srinivasan, Prashanth; Demuriya, David; Grabowski, Blazej; Shapeev, Alexander, 2024, "Data for: Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom", https://doi.org/10.18419/darus-3891, DaRUS, V1

Data for "Srinivasan, P., Demuriya, D., Grabowski, B. et al. Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom. npj Comput Mater 10, 41 (2024). doi:10.1038/s41524-024-01222-9 The dataset contains three folders: Data for the four figure...

Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition

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...

Molecular simulation scripts for slit nanopores with tunable hydrophilicity

Oct 11, 2023 - NMR insights into nanoconfined water using the surface exchange model

Gravelle, Simon, 2023, "Molecular simulation scripts for slit nanopores with tunable hydrophilicity", https://doi.org/10.18419/darus-3732, DaRUS, V1

GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the bash script run_gmx.sh to run GROMACS. See the README.md file.

Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals

May 12, 2023 - Materials Design

Forslund, Axel; Jung, Jong Hyun; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals", https://doi.org/10.18419/darus-3339, DaRUS, V1

Data for the publication Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals, Phys. Rev. B 107, 174309 (2023). This data set contains - the training sets (VAS...

Replication Data for: Anti-Zeno purification of spin baths by quantum probe measurements

Dec 6, 2022 - 3rd Physics Institute

Dasari, Durga, 2022, "Replication Data for: Anti-Zeno purification of spin baths by quantum probe measurements", https://doi.org/10.18419/darus-3262, DaRUS, V2, UNF:6:5LGVz9ukvWRrstHZVproWQ== [fileUNF]

Datasets to reproduce all plots in the paper. Each spreadsheet (xls file) contains the horizontal and vertical data of a subfigure. The experimental data is produced from the low temperature confocal microscopy setup measuring the fluorescence (photon count) of a color center in...

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