PN 3

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

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371 to 380 of 773 Results

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
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
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...
AQPZ.tar.gz Jun 30, 2023 - Supplementary Material for 'Entropic barrier of water permeation through single-file channels' Gzip Archive - 15.8 MB - MD5: f48975c095655931b44dea6581c0ee76 Simulation and analysis files of tetrameric AQPZ 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...
charmm36-jul2017.ff.tar.gz Jun 30, 2023 - Supplementary Material for 'Entropic barrier of water permeation through single-file channels' Gzip Archive - 600.2 KB - MD5: 17188dcad81e662ab1df296a90650f97 GROMACS simulation files for CHARMM36m including all special atomtypes from this project (also for CNTs).

tpi_run.mdp

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

Unknown - 4.0 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 -

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...

AQPZ.tar.gz

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

Gzip Archive - 15.8 MB -

Simulation and analysis files of tetrameric AQPZ 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...

charmm36-jul2017.ff.tar.gz

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

Gzip Archive - 600.2 KB -

GROMACS simulation files for CHARMM36m including all special atomtypes from this project (also for CNTs).

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