PN 3

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

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691 to 700 of 1,091 Results

topol.top Jul 19, 2023 - Replication Data for: A screening of results on the decay length in concentrated electrolytes Unknown - 150 B - MD5: 972bce24e6f6c60bd09d2801b3917a35
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
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
AQP1.tar.gz Jun 30, 2023 - Supplementary Material for 'Entropic barrier of water permeation through single-file channels' Gzip Archive - 21.3 MB - MD5: d07962502998949580f947c62f1ef616 Simulation and analysis files of tetrameric AQP1 embedded in E. coli PLE membrane model. All-atom simulation using CHARMM36m force field. Structures after 500ns at 277K, 289K, 296K and 309K are also included. Guides how to run and analyse the simulations are included in the workflow.sh files in the corresponding directories. The workflow is tested...

topol.top

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

Unknown - 150 B -

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 -

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 -

AQP1.tar.gz

Jun 30, 2023 - Supplementary Material for 'Entropic barrier of water permeation through single-file channels'

Gzip Archive - 21.3 MB -

Simulation and analysis files of tetrameric AQP1 embedded in E. coli PLE membrane model. All-atom simulation using CHARMM36m force field. Structures after 500ns at 277K, 289K, 296K and 309K are also included. Guides how to run and analyse the simulations are included in the workflow.sh files in the corresponding directories. The workflow is tested...

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