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Deposit Date: 2023 Funding Information Agency: European Commission License: CC BY 4.0

1 to 8 of 8 Results

Electrocatalytic proton reduction: Metal based fused diporphyrins with proton relays for efficient catalysis Jun 4, 2024 - MSCA MC-FMP-ECAT-894082 Singha Hazari, Arijit; Chandra, Shubhadeep; Song, Qian; Hunger, David; Neuman, Nicolas; van Slageren, Joris; Klemm, Elias; Sarkar, Biprajit; Kar, Sanjib, 2024, "Electrocatalytic proton reduction: Metal based fused diporphyrins with proton relays for efficient catalysis", https://doi.org/10.18419/darus-3360, DaRUS, V1 This project deals with the use of metal-based fused diporphyrins as electrocatalysts for HER reduction. The objectives of the proposed work are as follows: Synthesis of metal complexes (Cu, Ni) of substituted free base monoporphyrin derivatives bearing hydrophilic groups at the...
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...
Data for: Transforming Laser-Scanned 750 kW Turbine Surface Geometry Data into Smooth CAD for CFD Simulations Feb 14, 2024 - Institute of Aerodynamics and Gas Dynamics Gagnon, Louis; Lutz, Thorsten, 2024, "Data for: Transforming Laser-Scanned 750 kW Turbine Surface Geometry Data into Smooth CAD for CFD Simulations", https://doi.org/10.18419/darus-3859, DaRUS, V1 Note for access: The data is available to anyone interested, but in order to monitor access, we ask that interested users request access by logging in by using the account of their academic institution, selecting the files they want, and clicking "Request Access" If you do not ha...
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...
Replication Data for: Dopant-assisted stabilization of negatively charged single nitrogen-vacancy centers in phosphorus-doped diamond at low temperatures Oct 11, 2023 - 3rd Physics Institute Shalomayeva, Tetyana, 2023, "Replication Data for: Dopant-assisted stabilization of negatively charged single nitrogen-vacancy centers in phosphorus-doped diamond at low temperatures", https://doi.org/10.18419/darus-3734, DaRUS, V1, UNF:6:hxajGD1ljHHsxMwFLm1PZA== [fileUNF] Datasets to reproduce all plots in the paper. Each spreadsheet (xls file) contains the horizontal and vertical data of every subfigure. The experimental data is collected using the low-temperature confocal microscope. The fluorescence of Nitrogen-Vacancy centers in phosphorus-dop...
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.
Replication Data for: "High-density magnetomyography is superior to high-density surface electromyography for motor unit decomposition: a simulation study" Jul 14, 2023 - qMOTION - Simulation-enhanced Highdensity Magneto-myographic Quantum Sensor Systems for Decoding Neuromuscular Control During Motion Klotz, Thomas; Lehmann, Lena; Negro, Francesco; Röhrle, Oliver, 2023, "Replication Data for: "High-density magnetomyography is superior to high-density surface electromyography for motor unit decomposition: a simulation study"", https://doi.org/10.18419/darus-3556, DaRUS, V1 This dataset contains simulated high-density magnetomyography data and high-desnity surface elecoromyography data that was generated for the publication High-density magnetomyography is superior to high-density surface electromyography for motor unit decomposition: a simulation s...
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...

Electrocatalytic proton reduction: Metal based fused diporphyrins with proton relays for efficient catalysis

Jun 4, 2024 - MSCA MC-FMP-ECAT-894082

Singha Hazari, Arijit; Chandra, Shubhadeep; Song, Qian; Hunger, David; Neuman, Nicolas; van Slageren, Joris; Klemm, Elias; Sarkar, Biprajit; Kar, Sanjib, 2024, "Electrocatalytic proton reduction: Metal based fused diporphyrins with proton relays for efficient catalysis", https://doi.org/10.18419/darus-3360, DaRUS, V1

This project deals with the use of metal-based fused diporphyrins as electrocatalysts for HER reduction. The objectives of the proposed work are as follows: Synthesis of metal complexes (Cu, Ni) of substituted free base monoporphyrin derivatives bearing hydrophilic groups at the...

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...

Data for: Transforming Laser-Scanned 750 kW Turbine Surface Geometry Data into Smooth CAD for CFD Simulations

Feb 14, 2024 - Institute of Aerodynamics and Gas Dynamics

Gagnon, Louis; Lutz, Thorsten, 2024, "Data for: Transforming Laser-Scanned 750 kW Turbine Surface Geometry Data into Smooth CAD for CFD Simulations", https://doi.org/10.18419/darus-3859, DaRUS, V1

Note for access: The data is available to anyone interested, but in order to monitor access, we ask that interested users request access by logging in by using the account of their academic institution, selecting the files they want, and clicking "Request Access" If you do not ha...

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...

Replication Data for: Dopant-assisted stabilization of negatively charged single nitrogen-vacancy centers in phosphorus-doped diamond at low temperatures

Oct 11, 2023 - 3rd Physics Institute

Shalomayeva, Tetyana, 2023, "Replication Data for: Dopant-assisted stabilization of negatively charged single nitrogen-vacancy centers in phosphorus-doped diamond at low temperatures", https://doi.org/10.18419/darus-3734, DaRUS, V1, UNF:6:hxajGD1ljHHsxMwFLm1PZA== [fileUNF]

Datasets to reproduce all plots in the paper. Each spreadsheet (xls file) contains the horizontal and vertical data of every subfigure. The experimental data is collected using the low-temperature confocal microscope. The fluorescence of Nitrogen-Vacancy centers in phosphorus-dop...

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.

Replication Data for: "High-density magnetomyography is superior to high-density surface electromyography for motor unit decomposition: a simulation study"

Jul 14, 2023 - qMOTION - Simulation-enhanced Highdensity Magneto-myographic Quantum Sensor Systems for Decoding Neuromuscular Control During Motion

Klotz, Thomas; Lehmann, Lena; Negro, Francesco; Röhrle, Oliver, 2023, "Replication Data for: "High-density magnetomyography is superior to high-density surface electromyography for motor unit decomposition: a simulation study"", https://doi.org/10.18419/darus-3556, DaRUS, V1

This dataset contains simulated high-density magnetomyography data and high-desnity surface elecoromyography data that was generated for the publication High-density magnetomyography is superior to high-density surface electromyography for motor unit decomposition: a simulation s...

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...

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