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thermoatoms
/
grace-correction-layers
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Atomistic Simulation of Thermodynamic Properties
1
doi:10.57967/hf/10854
interatomic-potential
machine-learning-potential
ace
lammps
phase-transitions
thermodynamics
License:
cc-by-4.0
Model card
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grace-correction-layers
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layers
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1 contributor
History:
4 commits
srmnitc
Paper elements only (U and Pa removed); pressure-informed Ti layer added; model card tables from the paper data
6223a52
verified
4 days ago
Ag_correction.yace
Safe
16.1 kB
Ag and Au layers recomputed in the standard correction loop; model card table from the paper data
5 days ago
Ag_correction.yaml
Safe
7.5 kB
Ag and Au layers recomputed in the standard correction loop; model card table from the paper data
5 days ago
Al_correction.yace
Safe
13.1 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Al_correction.yaml
Safe
6.16 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Au_correction.yace
Safe
30.3 kB
Ag and Au layers recomputed in the standard correction loop; model card table from the paper data
5 days ago
Au_correction.yaml
Safe
13.1 kB
Ag and Au layers recomputed in the standard correction loop; model card table from the paper data
5 days ago
Ca_correction.yace
Safe
12.9 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Ca_correction.yaml
Safe
6.11 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Cu_correction.yace
Safe
13 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Cu_correction.yaml
Safe
6.11 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Mg_correction.yace
Safe
13 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Mg_correction.yaml
Safe
6.13 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Mo_correction.yace
Safe
12.9 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Mo_correction.yaml
Safe
6.1 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Ni_correction.yace
Safe
13 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Ni_correction.yaml
Safe
6.14 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Ti_correction.yace
Safe
12.9 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Ti_correction.yaml
Safe
6.1 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Ti_correction_pressure.yace
Safe
12.9 kB
Paper elements only (U and Pa removed); pressure-informed Ti layer added; model card tables from the paper data
4 days ago
Ti_correction_pressure.yaml
Safe
6.08 kB
Paper elements only (U and Pa removed); pressure-informed Ti layer added; model card tables from the paper data
4 days ago
V_correction.yace
Safe
13 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
V_correction.yaml
Safe
5.94 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Zr_correction.yace
Safe
12.8 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
Zr_correction.yaml
Safe
6.08 kB
Correction layers for GRACE-2L-SMAX-OMAT-large (13 elements)
29 days ago
