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Subject: Physics Subject: Computer and Information Science Deposit Date: 2022

1 to 10 of 15 Results

PDEBench Datasets Feb 13, 2024 - SciML PDE Benchmark Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Datasets", https://doi.org/10.18419/darus-2986, DaRUS, V8 This dataset contains benchmark data, generated with numerical simulation based on different PDEs, namely 1D advection, 1D Burgers', 1D and 2D diffusion-reaction, 1D diffusion-sorption, 1D, 2D, and 3D compressible Navier-Stokes, 2D Darcy flow, and 2D shallow water equation. This...
PDEBench Pretrained Models Nov 30, 2023 - SciML PDE Benchmark Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Pretrained Models", https://doi.org/10.18419/darus-2987, DaRUS, V2 This dataset contains the pretrained baseline models, namely FNO, U-Net, and PINN. These models are trained on different PDEs, such as 1D advection, 1D Burgers', 1D and 2D diffusion-reaction, 1D diffusion-sorption, 1D, 2D, and 3D compressible Navier-Stokes, 2D Darcy flow, and 2D...
Numerical Data of Marangoni Test Case from "Visual Analysis of Interface Deformation in Multiphase Flow" Aug 2, 2023 - Institute of Aerospace Thermodynamics Steigerwald, Jonas, 2023, "Numerical Data of Marangoni Test Case from "Visual Analysis of Interface Deformation in Multiphase Flow"", https://doi.org/10.18419/darus-3143, DaRUS, V1 This dataset contains the numerical data of the Marangoni convection test case from the study "Visual Analysis of Interface Deformation in Multiphase Flow". In the two investigated scenarios, a water drop coalesce with an ethanol drop. In one case, solutocapillary driven flow phe...
Molecular simulation scripts for slit nanopores Mar 9, 2023 - NMR investigation of water confined by salt interface Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for slit nanopores", https://doi.org/10.18419/darus-3180, DaRUS, V1 GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration with a given salt concentration can be generated using the Python script ConfigurationGenerator.py, and s...
Molecular simulation scripts for bulk solutions Mar 8, 2023 - NMR investigation of water confined by salt interface Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for bulk solutions", https://doi.org/10.18419/darus-3179, DaRUS, V1 GROMACS molecular simulation input files for bulk solutions of NaCl and Na2SO4. Initial configuration with different salt concentration can be generated using the Python script ConfigurationGenerator.py, and successive GROMACS runs can be performed by running the runall.sh Bash s...
Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials Feb 20, 2023 - PN 6 Zaverkin, Viktor; Holzmüller, David; Bonfirraro, Luca; Kästner, Johannes, 2023, "Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials", https://doi.org/10.18419/darus-3299, DaRUS, V1 Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the respective documentation and tutorials, can be found on GitLab. The data represents TensorFlow v2 checkpoint...
Simulation Data from Motorcycle Sensors in Operational and Crash Scenarios Jan 17, 2023 - PN 7-6 Rodegast, Philipp; Maier, Steffen; Kneifl, Jonas; Fehr, Jörg, 2023, "Simulation Data from Motorcycle Sensors in Operational and Crash Scenarios", https://doi.org/10.18419/darus-3301, DaRUS, V1, UNF:6:rnJlYpzgwi2nYAtNG7jBtA== [fileUNF] This dataset provides time-dependent simulation results from high-fidelity motorcycle body crash scenarios. The set contains the angular as well as linear positions, velocities, and accelerations of different parts of the motorcycle. In addition, force and contact sensor signals...
Replication Data for: "Scaling the Plasma Simulation while Conserving the Mass" - Poster at PASC '22 Jun 28, 2022 - Scientific Computing Pollinger, Theresa; Kormann, Katharina, 2022, "Replication Data for: "Scaling the Plasma Simulation while Conserving the Mass" - Poster at PASC '22", https://doi.org/10.18419/darus-2784, DaRUS, V1 Data to replicate the run times for comparing different combination technique basis functions' performance. To be presented at the poster session at PASC 2022. The data generated is the run time of one DisCoTec+SeLaLib step. Time measurements for certain "events" are collected on...
Data for: FAIR and scalable management of small-angle X-ray scattering data Jun 9, 2022 - SFB 1333 A4 - Bruckner group Giess, Torsten; Itzigehl, Selina; Range, Jan Peter; Bruckner, Johanna R.; Pleiss, Jürgen, 2022, "Data for: FAIR and scalable management of small-angle X-ray scattering data", https://doi.org/10.18419/darus-2842, DaRUS, V1 This dataset contains small-angle X-ray scattering (SAXS) measurements on various octyltrimethylammonium bromide (OTAB)/water and octyltrimethylammonium chloride (OTAC)/water mixtures at different mass fractions and temperatures, as well as analysis and visualization data thereof...
Data for: Galvanotaxis of ciliates: Spatiotemporal dynamics of Coleps hirtus under electric fields May 17, 2022 - AG_BioMat Daul, Anna; Lemloh, Marie-Louise; Hörning, Marcel, 2022, "Data for: Galvanotaxis of ciliates: Spatiotemporal dynamics of Coleps hirtus under electric fields", https://doi.org/10.18419/darus-2827, DaRUS, V1 Time-lapse records observed with a stereo microscope (Stemi 508, Zeiss, Carl Zeiss Microscopy GmbH) equipped with a camera (Axiocam 503, Zeiss, Carl Zeiss Microscopy GmbH). Spatial magnification is set to 20.475× by using a 0.65× zoom, a 63× objective lens and a 0.5× wide angle c...

PDEBench Datasets

Feb 13, 2024 - SciML PDE Benchmark

Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Datasets", https://doi.org/10.18419/darus-2986, DaRUS, V8

This dataset contains benchmark data, generated with numerical simulation based on different PDEs, namely 1D advection, 1D Burgers', 1D and 2D diffusion-reaction, 1D diffusion-sorption, 1D, 2D, and 3D compressible Navier-Stokes, 2D Darcy flow, and 2D shallow water equation. This...

PDEBench Pretrained Models

Nov 30, 2023 - SciML PDE Benchmark

Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Pretrained Models", https://doi.org/10.18419/darus-2987, DaRUS, V2

This dataset contains the pretrained baseline models, namely FNO, U-Net, and PINN. These models are trained on different PDEs, such as 1D advection, 1D Burgers', 1D and 2D diffusion-reaction, 1D diffusion-sorption, 1D, 2D, and 3D compressible Navier-Stokes, 2D Darcy flow, and 2D...

Numerical Data of Marangoni Test Case from "Visual Analysis of Interface Deformation in Multiphase Flow"

Aug 2, 2023 - Institute of Aerospace Thermodynamics

Steigerwald, Jonas, 2023, "Numerical Data of Marangoni Test Case from "Visual Analysis of Interface Deformation in Multiphase Flow"", https://doi.org/10.18419/darus-3143, DaRUS, V1

This dataset contains the numerical data of the Marangoni convection test case from the study "Visual Analysis of Interface Deformation in Multiphase Flow". In the two investigated scenarios, a water drop coalesce with an ethanol drop. In one case, solutocapillary driven flow phe...

Molecular simulation scripts for slit nanopores

Mar 9, 2023 - NMR investigation of water confined by salt interface

Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for slit nanopores", https://doi.org/10.18419/darus-3180, DaRUS, V1

GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration with a given salt concentration can be generated using the Python script ConfigurationGenerator.py, and s...

Molecular simulation scripts for bulk solutions

Mar 8, 2023 - NMR investigation of water confined by salt interface

Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for bulk solutions", https://doi.org/10.18419/darus-3179, DaRUS, V1

GROMACS molecular simulation input files for bulk solutions of NaCl and Na2SO4. Initial configuration with different salt concentration can be generated using the Python script ConfigurationGenerator.py, and successive GROMACS runs can be performed by running the runall.sh Bash s...

Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials

Feb 20, 2023 - PN 6

Zaverkin, Viktor; Holzmüller, David; Bonfirraro, Luca; Kästner, Johannes, 2023, "Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials", https://doi.org/10.18419/darus-3299, DaRUS, V1

Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the respective documentation and tutorials, can be found on GitLab. The data represents TensorFlow v2 checkpoint...

Simulation Data from Motorcycle Sensors in Operational and Crash Scenarios

Jan 17, 2023 - PN 7-6

Rodegast, Philipp; Maier, Steffen; Kneifl, Jonas; Fehr, Jörg, 2023, "Simulation Data from Motorcycle Sensors in Operational and Crash Scenarios", https://doi.org/10.18419/darus-3301, DaRUS, V1, UNF:6:rnJlYpzgwi2nYAtNG7jBtA== [fileUNF]

This dataset provides time-dependent simulation results from high-fidelity motorcycle body crash scenarios. The set contains the angular as well as linear positions, velocities, and accelerations of different parts of the motorcycle. In addition, force and contact sensor signals...

Replication Data for: "Scaling the Plasma Simulation while Conserving the Mass" - Poster at PASC '22

Jun 28, 2022 - Scientific Computing

Pollinger, Theresa; Kormann, Katharina, 2022, "Replication Data for: "Scaling the Plasma Simulation while Conserving the Mass" - Poster at PASC '22", https://doi.org/10.18419/darus-2784, DaRUS, V1

Data to replicate the run times for comparing different combination technique basis functions' performance. To be presented at the poster session at PASC 2022. The data generated is the run time of one DisCoTec+SeLaLib step. Time measurements for certain "events" are collected on...

Data for: FAIR and scalable management of small-angle X-ray scattering data

Jun 9, 2022 - SFB 1333 A4 - Bruckner group

Giess, Torsten; Itzigehl, Selina; Range, Jan Peter; Bruckner, Johanna R.; Pleiss, Jürgen, 2022, "Data for: FAIR and scalable management of small-angle X-ray scattering data", https://doi.org/10.18419/darus-2842, DaRUS, V1

This dataset contains small-angle X-ray scattering (SAXS) measurements on various octyltrimethylammonium bromide (OTAB)/water and octyltrimethylammonium chloride (OTAC)/water mixtures at different mass fractions and temperatures, as well as analysis and visualization data thereof...

Data for: Galvanotaxis of ciliates: Spatiotemporal dynamics of Coleps hirtus under electric fields

May 17, 2022 - AG_BioMat

Daul, Anna; Lemloh, Marie-Louise; Hörning, Marcel, 2022, "Data for: Galvanotaxis of ciliates: Spatiotemporal dynamics of Coleps hirtus under electric fields", https://doi.org/10.18419/darus-2827, DaRUS, V1

Time-lapse records observed with a stereo microscope (Stemi 508, Zeiss, Carl Zeiss Microscopy GmbH) equipped with a camera (Axiocam 503, Zeiss, Carl Zeiss Microscopy GmbH). Spatial magnification is set to 20.475× by using a 0.65× zoom, a 63× objective lens and a 0.5× wide angle c...

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