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Deposit Date: 2023 Data Generation: Prediction

1 to 5 of 5 Results

Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling Mar 25, 2024 - A01: Molecular detail in ﬂuid simulations: Density Functional Theory within component and momentum balances Bursik, Benjamin; Stierle, Rolf; Schlaich, Alexander; Rehner, Philipp; Gross, Joachim, 2024, "Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling", https://doi.org/10.18419/darus-3769, DaRUS, V1 This data set contains data of three categories: 1) LAMMPS input files (.lammps), postprocessing python script (.py) and density and velocity profiles (.dat) from NEMD. 2) DFT three-dimensional density profiles (.npy) for all systems. 3) Jupyter notebooks (.ipynb) for the calcula...
Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data Mar 1, 2024 - A01: Molecular detail in ﬂuid simulations: Density Functional Theory within component and momentum balances Bursik, Benjamin; Eller, Johannes; Gross, Joachim, 2024, "Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data", https://doi.org/10.18419/darus-3756, DaRUS, V1, UNF:6:0QTV2eSt2s5RktyiTCTmAg== [fileUNF] This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication; 2) Gromacs files containing the solute and solvent topology (.gro, .itp, .top), the trajectories (.trr...
Remote Sensing-Based Extension of GRDC River Discharge Time Series Jan 18, 2024 - Institute of Geodesy Elmi, Omid; Tourian, Mohammad J.; Saemian, Peyman; Sneeuw, Nico, 2023, "Remote Sensing-Based Extension of GRDC River Discharge Time Series", https://doi.org/10.18419/darus-3558, DaRUS, V4 The quantification of river discharge is essential for understanding global freshwater dynamics. However, the Global Runoff Data Center (GRDC) dataset has faced a decline in the number of active gauges since the 1980s, leaving only 14% of gauges active as of 2020. We develop the...
Replication Data for: "Deep learning-based estimation of the neutral body posture considering three-dimensional local joint angles" Nov 28, 2023 - Neutral Body Posture Lerge, Patrick; Nölle, Lennart Vincent; Schmitt, Syn, 2023, "Replication Data for: "Deep learning-based estimation of the neutral body posture considering three-dimensional local joint angles"", https://doi.org/10.18419/darus-3793, DaRUS, V1 This dataset contains the pose estimation results from the third-party framework "PARE" (Max Planck Institute for Intelligent Systems) and the pose averaging script (Matlab, Mathworks, Natick, MA) to obtain the joint angle results described in the paper "Deep learning-based estim...
Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al Jun 30, 2023 - PN 3-10 Xu, Xiang, 2023, "Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", https://doi.org/10.18419/darus-3579, DaRUS, V1 Data for the publication " Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", Acta Materialia, 255, doi: 10.1016/j.actamat.2023.118986. This data set contains the training sets (VASP files), the utilized moment-tensor-potentials...

Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling

Mar 25, 2024 - A01: Molecular detail in ﬂuid simulations: Density Functional Theory within component and momentum balances

Bursik, Benjamin; Stierle, Rolf; Schlaich, Alexander; Rehner, Philipp; Gross, Joachim, 2024, "Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling", https://doi.org/10.18419/darus-3769, DaRUS, V1

This data set contains data of three categories: 1) LAMMPS input files (.lammps), postprocessing python script (.py) and density and velocity profiles (.dat) from NEMD. 2) DFT three-dimensional density profiles (.npy) for all systems. 3) Jupyter notebooks (.ipynb) for the calcula...

Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data

Mar 1, 2024 - A01: Molecular detail in ﬂuid simulations: Density Functional Theory within component and momentum balances

Bursik, Benjamin; Eller, Johannes; Gross, Joachim, 2024, "Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data", https://doi.org/10.18419/darus-3756, DaRUS, V1, UNF:6:0QTV2eSt2s5RktyiTCTmAg== [fileUNF]

This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication; 2) Gromacs files containing the solute and solvent topology (.gro, .itp, .top), the trajectories (.trr...

Remote Sensing-Based Extension of GRDC River Discharge Time Series

Jan 18, 2024 - Institute of Geodesy

Elmi, Omid; Tourian, Mohammad J.; Saemian, Peyman; Sneeuw, Nico, 2023, "Remote Sensing-Based Extension of GRDC River Discharge Time Series", https://doi.org/10.18419/darus-3558, DaRUS, V4

The quantification of river discharge is essential for understanding global freshwater dynamics. However, the Global Runoff Data Center (GRDC) dataset has faced a decline in the number of active gauges since the 1980s, leaving only 14% of gauges active as of 2020. We develop the...

Replication Data for: "Deep learning-based estimation of the neutral body posture considering three-dimensional local joint angles"

Nov 28, 2023 - Neutral Body Posture

Lerge, Patrick; Nölle, Lennart Vincent; Schmitt, Syn, 2023, "Replication Data for: "Deep learning-based estimation of the neutral body posture considering three-dimensional local joint angles"", https://doi.org/10.18419/darus-3793, DaRUS, V1

This dataset contains the pose estimation results from the third-party framework "PARE" (Max Planck Institute for Intelligent Systems) and the pose averaging script (Matlab, Mathworks, Natick, MA) to obtain the joint angle results described in the paper "Deep learning-based estim...

Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Jun 30, 2023 - PN 3-10

Xu, Xiang, 2023, "Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", https://doi.org/10.18419/darus-3579, DaRUS, V1

Data for the publication " Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al", Acta Materialia, 255, doi: 10.1016/j.actamat.2023.118986. This data set contains the training sets (VASP files), the utilized moment-tensor-potentials...

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