PN 3

SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"

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41 to 50 of 793 Results

spce.txt Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials Plain Text - 538 B - MD5: c3b5afc49160f9cdbcb213058e9d12a6
spce.txt Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials Plain Text - 538 B - MD5: c3b5afc49160f9cdbcb213058e9d12a6
spce.txt Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials Plain Text - 538 B - MD5: c3b5afc49160f9cdbcb213058e9d12a6
Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials Apr 11, 2024 - Holm group Finkbeiner, Jan; Tovey, Samuel; Holm, Christian, 2024, "Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials", https://doi.org/10.18419/DARUS-4099, DaRUS, V1 Data and scripts for replicating results and the investigation presented in the paper. This includes the dft parameters for generating training data, all training and data selection scripts for the neural networks, scripts for running and analysing the production simulations with the trained potentials.
generating_minimal_training_sets_for_machine_learned_potentials.tar.gz Apr 11, 2024 - Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials Gzip Archive - 1.7 GB - MD5: a7315aa714d0e0dbe2e05e8a275a73dc Data for reproducing paper 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 calculation of densities from DFT, viscosity and velocity profiles from entro...
3d_dft_rho.npy Mar 25, 2024 - Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling Unknown - 8.0 MB - MD5: cbb862f025e42ef2a3de6c27e502e850 3D density profile from DFT.
3d_dft_rho.npy Mar 25, 2024 - Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling Unknown - 8.0 MB - MD5: 87bbffb5191e20068eac1509c26a8965 3D density profile from DFT.
3d_dft_rho.npy Mar 25, 2024 - Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling Unknown - 8.0 MB - MD5: 4fa3714812f529dd3ee42d796e83b807 3D density profile from DFT.
3d_dft_rho.npy Mar 25, 2024 - Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling Unknown - 8.0 MB - MD5: b1da12e40a492f32fab0774ca40e84a7 3D density profile from DFT.

spce.txt

Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials

Plain Text - 538 B -

spce.txt

Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials

Plain Text - 538 B -

spce.txt

Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials

Plain Text - 538 B -

Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials

Apr 11, 2024 - Holm group

Finkbeiner, Jan; Tovey, Samuel; Holm, Christian, 2024, "Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials", https://doi.org/10.18419/DARUS-4099, DaRUS, V1

Data and scripts for replicating results and the investigation presented in the paper. This includes the dft parameters for generating training data, all training and data selection scripts for the neural networks, scripts for running and analysing the production simulations with the trained potentials.

generating_minimal_training_sets_for_machine_learned_potentials.tar.gz

Apr 11, 2024 - Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials

Gzip Archive - 1.7 GB -

Data for reproducing paper 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 calculation of densities from DFT, viscosity and velocity profiles from entro...

3d_dft_rho.npy

Mar 25, 2024 - Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling

Unknown - 8.0 MB -

3D density profile from DFT.

3d_dft_rho.npy

Mar 25, 2024 - Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling

Unknown - 8.0 MB -

3D density profile from DFT.

3d_dft_rho.npy

Mar 25, 2024 - Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling

Unknown - 8.0 MB -

3D density profile from DFT.

3d_dft_rho.npy

Mar 25, 2024 - Additional Material: Viscosities of Inhomogeneous Systems from Generalized Entropy Scaling

Unknown - 8.0 MB -

3D density profile from DFT.

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