EXC 2075 Project Networks

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Publication Year: 2023

2,151 to 2,160 of 2,160 Results

Mg_hcp_LDA.tar.gz Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Gzip Archive - 28.7 MB - MD5: 99759fecf1596bb8f9a614bfdce2adb3 The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Mg using the LDA functional.
Mg_hcp_PBE.tar.gz Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Gzip Archive - 51.9 MB - MD5: 7af28e5fcbcd930791d037ffe30597d1 The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Mg using the PBE functional.
Nb_bcc_PBE.tar.gz Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Gzip Archive - 92.7 MB - MD5: 9038fc65c17ea978b309432106818c09 The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Nb using the PBE functional.
Ni_fcc_PBE.tar.gz Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Gzip Archive - 119.2 MB - MD5: 0f30466d39f7b27603317a313e4b1bab The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for fcc Ni using the PBE functional.
table-thermodynamic-Al-LDA.txt Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Plain Text - 72.0 KB - MD5: 6274546e248297eafdc7e1295dcbecb0 The free energies and the final thermodynamic database (properties) for fcc Al using the LDA functional.
table-thermodynamic-Al-PBE.txt Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Plain Text - 72.0 KB - MD5: eafbc1d607b533e03dbf4deacf1d29c9 The free energies and the final thermodynamic database (properties) for fcc Al using the PBE functional.
table-thermodynamic-Mg-LDA.txt Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Plain Text - 71.3 KB - MD5: a313c65d6746aed9be839d3deed32472 The free energies and the final thermodynamic database (properties) for hcp Mg using the LDA functional.
table-thermodynamic-Mg-PBE.txt Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Plain Text - 71.3 KB - MD5: 10a8526588777a0e97fce7b3bf033df1 The free energies and the final thermodynamic database (properties) for hcp Mg using the PBE functional.
table-thermodynamic-Nb-PBE.txt Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Plain Text - 223.3 KB - MD5: 053991292e5763b7de677bed3531cbd3 The free energies and the final thermodynamic database (properties) for bcc Nb using the PBE functional.
table-thermodynamic-Ni-PBE.txt Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Plain Text - 138.4 KB - MD5: 0e9c88396227953c9c2b0aba2476585b The free energies and the final thermodynamic database (properties) for fcc Ni using the PBE functional.

Mg_hcp_LDA.tar.gz

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Gzip Archive - 28.7 MB -

The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Mg using the LDA functional.

Mg_hcp_PBE.tar.gz

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Gzip Archive - 51.9 MB -

The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Mg using the PBE functional.

Nb_bcc_PBE.tar.gz

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Gzip Archive - 92.7 MB -

The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Nb using the PBE functional.

Ni_fcc_PBE.tar.gz

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Gzip Archive - 119.2 MB -

The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for fcc Ni using the PBE functional.

table-thermodynamic-Al-LDA.txt

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Plain Text - 72.0 KB -

The free energies and the final thermodynamic database (properties) for fcc Al using the LDA functional.

table-thermodynamic-Al-PBE.txt

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Plain Text - 72.0 KB -

The free energies and the final thermodynamic database (properties) for fcc Al using the PBE functional.

table-thermodynamic-Mg-LDA.txt

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Plain Text - 71.3 KB -

The free energies and the final thermodynamic database (properties) for hcp Mg using the LDA functional.

table-thermodynamic-Mg-PBE.txt

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Plain Text - 71.3 KB -

The free energies and the final thermodynamic database (properties) for hcp Mg using the PBE functional.

table-thermodynamic-Nb-PBE.txt

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Plain Text - 223.3 KB -

The free energies and the final thermodynamic database (properties) for bcc Nb using the PBE functional.

table-thermodynamic-Ni-PBE.txt

Jan 11, 2023 - Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Plain Text - 138.4 KB -

The free energies and the final thermodynamic database (properties) for fcc Ni using the PBE functional.

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