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Funding Information Agency: European Commission

1 to 10 of 49 Results

Replication Data for: "Light-driven molecular motors embedded in covalent organic frameworks" May 15, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF Stähler, Cosima; Grunenberg, Lars; Terban, Maxwell; Browne, Wesley; Doellerer, Daniel; Kathan, Michael; Etter, Martin; Lotsch, Bettina V.; Feringa, Ben; Krause, Simon, 2024, "Replication Data for: "Light-driven molecular motors embedded in covalent organic frameworks"", https://doi.org/10.18419/darus-3961, DaRUS, V1, UNF:6:oxtqmyas9B6JNfvm6edQXA== [fileUNF] The incorporation of molecular machines into the backbone of porous framework structures will facilitate nano actuation, enhanced molecular transport, and other out-of-equilibrium host–guest phenomena in well-defined 3D solid materials. In this work, we detail the synthesis of a...
Data for "Absorbing State Phase Transition with Clifford Circuits" May 8, 2024 - Institute for Theoretical Physics III: Büchler Group Makki, Nastasia; Lang, Nicolai; Büchler, Hans Peter, 2024, "Data for "Absorbing State Phase Transition with Clifford Circuits"", https://doi.org/10.18419/darus-3369, DaRUS, V1 This dataset includes simulation data and jupyter notebooks used to reproduce the results in "Absorbing State Phase Transition with Clifford Circuits". The different folders correspond to figures of this paper. The notebooks are run with python 3 and include all functions used fo...
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...
Replication Data for "Spectral stability of V2-centres in sub-micron 4H-SiC membranes" Apr 2, 2024 - 3rd Physics Institute Körber, Jonathan; Heiler, Jonah, 2024, "Replication Data for "Spectral stability of V2-centres in sub-micron 4H-SiC membranes"", https://doi.org/10.18419/darus-3982, DaRUS, V1, UNF:6:47fN8IWW9lCmomcyi4yOOg== [fileUNF] CSV data sets to reproduce all plots in the paper and the Supplementary Information
HPLC raw data related to Koeppl et al.: Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases Mar 28, 2024 - Institute of Biochemistry and Technical Biochemistry Koeppl, Lars-Hendrik, 2024, "HPLC raw data related to Koeppl et al.: Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases", https://doi.org/10.18419/darus-4052, DaRUS, V1, UNF:6:WOWb9VZ7dRJmQmW8TZ5lMg== [fileUNF] In this study, synthesis and cleavage reactions catalysed by S-adenosyl-L-homocysteine hydrolases originating from different domains of life were investigated. The reactions were studied using S-adenosyl-L-homocysteine or S-inosyl-L-homocysteine as substrate for the cleavage reac...
exaFOAM Microbenchmark MB10 - ERCOFTAC conical diffuser LES Mar 14, 2024 - HLRS-exaFOAM Lesnik, Sergey; Rusche, Henrik, 2024, "exaFOAM Microbenchmark MB10 - ERCOFTAC conical diffuser LES", https://doi.org/10.18419/darus-3745, DaRUS, V1 This work is part of the exaFOAM project that aims to enable the open-source CFD software OpenFOAM to exploit massively parallel HPC architectures and overcome performance scaling bottlenecks. The ERCOFTAC conical diffuser is a challenging case for turbulence modeling since it op...
exaFOAM Microbenchmark MB11 - Pitz&Daily Combustor Mar 14, 2024 - HLRS-exaFOAM Lesnik, Sergey; Rusche, Henrik, 2024, "exaFOAM Microbenchmark MB11 - Pitz&Daily Combustor", https://doi.org/10.18419/darus-3744, DaRUS, V1 This work is part of the exaFOAM project that aims to enable the open-source CFD software OpenFOAM to exploit massively parallel HPC architectures and overcome performance scaling bottlenecks. The case is based on the experiment carried out by Pitz and Daily 1983, who measured a...

Replication Data for: "Light-driven molecular motors embedded in covalent organic frameworks"

May 15, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF

Stähler, Cosima; Grunenberg, Lars; Terban, Maxwell; Browne, Wesley; Doellerer, Daniel; Kathan, Michael; Etter, Martin; Lotsch, Bettina V.; Feringa, Ben; Krause, Simon, 2024, "Replication Data for: "Light-driven molecular motors embedded in covalent organic frameworks"", https://doi.org/10.18419/darus-3961, DaRUS, V1, UNF:6:oxtqmyas9B6JNfvm6edQXA== [fileUNF]

The incorporation of molecular machines into the backbone of porous framework structures will facilitate nano actuation, enhanced molecular transport, and other out-of-equilibrium host–guest phenomena in well-defined 3D solid materials. In this work, we detail the synthesis of a...

Data for "Absorbing State Phase Transition with Clifford Circuits"

May 8, 2024 - Institute for Theoretical Physics III: Büchler Group

Makki, Nastasia; Lang, Nicolai; Büchler, Hans Peter, 2024, "Data for "Absorbing State Phase Transition with Clifford Circuits"", https://doi.org/10.18419/darus-3369, DaRUS, V1

This dataset includes simulation data and jupyter notebooks used to reproduce the results in "Absorbing State Phase Transition with Clifford Circuits". The different folders correspond to figures of this paper. The notebooks are run with python 3 and include all functions used fo...

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...

Replication Data for "Spectral stability of V2-centres in sub-micron 4H-SiC membranes"

Apr 2, 2024 - 3rd Physics Institute

Körber, Jonathan; Heiler, Jonah, 2024, "Replication Data for "Spectral stability of V2-centres in sub-micron 4H-SiC membranes"", https://doi.org/10.18419/darus-3982, DaRUS, V1, UNF:6:47fN8IWW9lCmomcyi4yOOg== [fileUNF]

CSV data sets to reproduce all plots in the paper and the Supplementary Information

HPLC raw data related to Koeppl et al.: Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases

Mar 28, 2024 - Institute of Biochemistry and Technical Biochemistry

Koeppl, Lars-Hendrik, 2024, "HPLC raw data related to Koeppl et al.: Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases", https://doi.org/10.18419/darus-4052, DaRUS, V1, UNF:6:WOWb9VZ7dRJmQmW8TZ5lMg== [fileUNF]

In this study, synthesis and cleavage reactions catalysed by S-adenosyl-L-homocysteine hydrolases originating from different domains of life were investigated. The reactions were studied using S-adenosyl-L-homocysteine or S-inosyl-L-homocysteine as substrate for the cleavage reac...

exaFOAM Microbenchmark MB10 - ERCOFTAC conical diffuser LES

Mar 14, 2024 - HLRS-exaFOAM

Lesnik, Sergey; Rusche, Henrik, 2024, "exaFOAM Microbenchmark MB10 - ERCOFTAC conical diffuser LES", https://doi.org/10.18419/darus-3745, DaRUS, V1

This work is part of the exaFOAM project that aims to enable the open-source CFD software OpenFOAM to exploit massively parallel HPC architectures and overcome performance scaling bottlenecks. The ERCOFTAC conical diffuser is a challenging case for turbulence modeling since it op...

exaFOAM Microbenchmark MB11 - Pitz&Daily Combustor

Mar 14, 2024 - HLRS-exaFOAM

Lesnik, Sergey; Rusche, Henrik, 2024, "exaFOAM Microbenchmark MB11 - Pitz&Daily Combustor", https://doi.org/10.18419/darus-3744, DaRUS, V1

This work is part of the exaFOAM project that aims to enable the open-source CFD software OpenFOAM to exploit massively parallel HPC architectures and overcome performance scaling bottlenecks. The case is based on the experiment carried out by Pitz and Daily 1983, who measured a...

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