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21 to 30 of 3,692 Results
Zr_bcc_PBE.tar.gz
Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition
Gzip Archive - 214.5 MB - MD5: 35c94c1f0ebcf510ec3fb71ad4757c35
The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Zr using the PBE functional.
Zr_hcp_PBE.tar.gz
Dec 14, 2023 - Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition
Gzip Archive - 195.7 MB - MD5: f81fc865a1417ef50d91854a35131bb8
The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Zr using the PBE functional.
Data Analysis(Universität Stuttgart)
Dec 4, 2023SimTech Software
Publication Tools(Universität Stuttgart)
Nov 27, 2023SimTech Software
Data Models(Universität Stuttgart)
Nov 27, 2023SimTech Software
Machine Learning(Universität Stuttgart)
Nov 27, 2023SimTech Software
Visualisation(Universität Stuttgart)
Nov 27, 2023SimTech Software
Database Tools(Universität Stuttgart)
Nov 27, 2023SimTech Software
Workflow Manager(Universität Stuttgart)
Nov 27, 2023SimTech Software
SimTech Software(Universität Stuttgart)
Nov 27, 2023
This is a collection of software published by researchers and research groups within the EXC2075 SimTech.
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