PN 3

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

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721 to 730 of 1,141 Results

tpi.py Jul 19, 2023 - Replication Data for: A screening of results on the decay length in concentrated electrolytes Python Source Code - 5.7 KB - MD5: 080ad54d91763730b538f0e7f9748cfc
tpi_run.mdp Jul 19, 2023 - Replication Data for: A screening of results on the decay length in concentrated electrolytes Unknown - 4.4 KB - MD5: f9c641e99a6362dab16ddf5e866d67a6
tpi_run.mdp Jul 19, 2023 - Replication Data for: A screening of results on the decay length in concentrated electrolytes Unknown - 4.0 KB - MD5: 149db8f787c2038a3452223e8888cf44
watermolecule.gro Jul 19, 2023 - Replication Data for: A screening of results on the decay length in concentrated electrolytes Unknown - 196 B - MD5: 41d8f9d1cc73769d0cbaf159dcf74d28
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; Zhang, Xi; Ruban, Andrei; Schmauder, Siegfried; Grabowski, Blazej, 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 (MTP) and the final thermodynamic database (properties) for the three...
100APB_thermodynamic.txt Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al Plain Text - 125.8 KB - MD5: b49021534108df4456b9dcdc4f127f49
111APB_thermodynamic.txt Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al Plain Text - 125.8 KB - MD5: 2681d95bd34730d8c89e52aee55cb468
Bulk_thermodynamic.txt Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al Plain Text - 125.7 KB - MD5: 79caa586782d28f4eff6028ee5b12d55
MTP-training-set.tar.gz Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al Gzip Archive - 554.0 MB - MD5: 2179eeb854d0bcaf778578d24b2c5b60
Supplementary Material for 'Entropic barrier of water permeation through single-file channels' Jun 30, 2023 - PN 3-11 Wachlmayr, Johann; Fläschner, Gotthold; Pluhackova, Kristyna; Sandtner, Walter; Siligan, Christine; Horner, Andreas, 2023, "Supplementary Material for 'Entropic barrier of water permeation through single-file channels'", https://doi.org/10.18419/DARUS-3390, DaRUS, V1 Facilitated water permeation through narrow biological channels is fundamental for all forms of life. This process involves dehydration of bulk water entering the single-file region and hydrogen bond formation with channel lining amino acid residues. Despite its significance in health and disease as well as for biotechnological applications the ene...

tpi.py

Jul 19, 2023 - Replication Data for: A screening of results on the decay length in concentrated electrolytes

Python Source Code - 5.7 KB -

tpi_run.mdp

Jul 19, 2023 - Replication Data for: A screening of results on the decay length in concentrated electrolytes

Unknown - 4.4 KB -

tpi_run.mdp

Jul 19, 2023 - Replication Data for: A screening of results on the decay length in concentrated electrolytes

Unknown - 4.0 KB -

watermolecule.gro

Jul 19, 2023 - Replication Data for: A screening of results on the decay length in concentrated electrolytes

Unknown - 196 B -

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; Zhang, Xi; Ruban, Andrei; Schmauder, Siegfried; Grabowski, Blazej, 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 (MTP) and the final thermodynamic database (properties) for the three...

100APB_thermodynamic.txt

Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Plain Text - 125.8 KB -

111APB_thermodynamic.txt

Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Plain Text - 125.8 KB -

Bulk_thermodynamic.txt

Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Plain Text - 125.7 KB -

MTP-training-set.tar.gz

Jun 30, 2023 - Replication Data for: Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Gzip Archive - 554.0 MB -

Supplementary Material for 'Entropic barrier of water permeation through single-file channels'

Jun 30, 2023 - PN 3-11

Wachlmayr, Johann; Fläschner, Gotthold; Pluhackova, Kristyna; Sandtner, Walter; Siligan, Christine; Horner, Andreas, 2023, "Supplementary Material for 'Entropic barrier of water permeation through single-file channels'", https://doi.org/10.18419/DARUS-3390, DaRUS, V1

Facilitated water permeation through narrow biological channels is fundamental for all forms of life. This process involves dehydration of bulk water entering the single-file region and hydrogen bond formation with channel lining amino acid residues. Despite its significance in health and disease as well as for biotechnological applications the ene...

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