PN 3

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

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221 to 230 of 803 Results

collision_detection_patch.patch Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement" text/x-patch - 1.3 KB - MD5: f46b843312064516115979b0e5bd99a8 Patch to adjust the collision detection
condor_script.cmd Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement" Unknown - 143.7 KB - MD5: 4595d91ab86d4f62e1ad22dca4680f6c Condorscript to run the simulations
density_distribution.py Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement" Python Source Code - 13.5 KB - MD5: 03da318fe349a2b0ecf40a21181fc33f Calculates the density distribution from the simulation data
poly_react_gcmc.py Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement" Python Source Code - 63.2 KB - MD5: 8c2de977dfebeafabb492c7ec5707d2f simulation script
pore_KG.tar.gz Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement" Gzip Archive - 1.6 GB - MD5: ee6e9b1130fb5172dbe5d8d29ab1341b Compressed simulation data and simulation checkpoints
readme.txt Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement" Plain Text - 1.3 KB - MD5: dd479ad50658b8a4997ee48a154e01eb Readme file
Softwarepackage CCMOR2 Dec 19, 2023 - Projects without PN Affiliation Rettberg, Johannes; Wittwar, Dominik; Herkert, Robin, 2023, "Softwarepackage CCMOR2", https://doi.org/10.18419/DARUS-3839, DaRUS, V1 The dataset entails the code of the CCMOR2 package developed in Matlab. This project aims to model and perform certified model order reduction on multi-physical systems. The systems are formulated in the port-Hamiltonian framework which incorporates useful system theoretic properties such as stability and passivity. The approach is subvided into th...
CCMOR2.zip Dec 19, 2023 - Softwarepackage CCMOR2 ZIP Archive - 8.4 MB - MD5: edb954007a9830d191d7ccb3223c7a1d
README.md Dec 19, 2023 - Softwarepackage CCMOR2 Markdown Text - 5.9 KB - MD5: 18613b23451f0ef31c5103dfb55da52b
Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition Dec 14, 2023 - Materials Design Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/DARUS-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF] Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentials (MTPs) and high-MTPs (for seperate hcp and bcc phases and combined...

collision_detection_patch.patch

Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"

text/x-patch - 1.3 KB -

Patch to adjust the collision detection

condor_script.cmd

Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"

Unknown - 143.7 KB -

Condorscript to run the simulations

density_distribution.py

Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"

Python Source Code - 13.5 KB -

Calculates the density distribution from the simulation data

poly_react_gcmc.py

Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"

Python Source Code - 63.2 KB -

simulation script

pore_KG.tar.gz

Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"

Gzip Archive - 1.6 GB -

Compressed simulation data and simulation checkpoints

readme.txt

Dec 22, 2023 - Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"

Plain Text - 1.3 KB -

Readme file

Softwarepackage CCMOR2

Dec 19, 2023 - Projects without PN Affiliation

Rettberg, Johannes; Wittwar, Dominik; Herkert, Robin, 2023, "Softwarepackage CCMOR2", https://doi.org/10.18419/DARUS-3839, DaRUS, V1

The dataset entails the code of the CCMOR2 package developed in Matlab. This project aims to model and perform certified model order reduction on multi-physical systems. The systems are formulated in the port-Hamiltonian framework which incorporates useful system theoretic properties such as stability and passivity. The approach is subvided into th...

CCMOR2.zip

Dec 19, 2023 - Softwarepackage CCMOR2

ZIP Archive - 8.4 MB -

README.md

Dec 19, 2023 - Softwarepackage CCMOR2

Markdown Text - 5.9 KB -

Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition

Dec 14, 2023 - Materials Design

Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/DARUS-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF]

Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentials (MTPs) and high-MTPs (for seperate hcp and bcc phases and combined...

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