Popular repositories Loading
-
greigite-fes-tdb
greigite-fes-tdb PublicReproducible CALPHAD thermodynamic databases for greigite (Fe₃S₄) in the Fe–S and Fe–S–O system
Python
-
ESPEI
ESPEI PublicForked from PhasesResearchLab/ESPEI
Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
Python
-
pycalphad
pycalphad PublicForked from pycalphad/pycalphad
CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
Python
-
ga-nucleant-public
ga-nucleant-public PublicData and reproducibility code for the gallium supercooling-nucleant screen (Computational Materials Science)
Python
-
rockets-public
rockets-public PublicCode and figures for the HEC-UHTC oxidation-screening study (Bustamante, Bustamante & Lilova, 2026)
Python
-
earthcore-engine-public
earthcore-engine-public PublicReproducibility package: a thermodynamic accounting of Earth's core light elements. A sourced equation-of-state ledger plus chemical-potential partitioning against PREM, with first-principles quasi…
Python
Repositories
- snse-defects-qe-public Public
Reproducibility package (code + Sol-computed DFT data) for the SnSe:O charged point-defect study. Public tools only; MIT + CC BY 4.0.
- LLZO-entropy-and-DFT-energetics-Public Public
Reproducibility data and analysis for the configurational + vibrational entropy and DFT energetics of cubic LLZO (Li7La3Zr2O12) and its Ta-doped derivatives. Odinzen LLC / ASU. CC BY 4.0.
- rockets-public Public
Code and figures for the HEC-UHTC oxidation-screening study (Bustamante, Bustamante & Lilova, 2026)
- oxygen-provenance-public Public
Reproducibility solver, parameters, and figures for the oxygen-provenance / oxidized magma ocean paper (Bustamante & Lilova 2026). Odinzen LLC. MIT + CC BY 4.0.
- earthcore-engine-public Public
Reproducibility package: a thermodynamic accounting of Earth's core light elements. A sourced equation-of-state ledger plus chemical-potential partitioning against PREM, with first-principles quasiharmonic validation of the solid endmembers. Code (MIT), Sol-computed data (CC BY 4.0).
- gainsn-assessment-public Public
Reproducibility package (TDBs + pycalphad scripts + figures) for the CALPHAD assessment of the Ga-In-Sn liquidus. Bustamante & Lilova, 2026. MIT + CC BY 4.0.
- ga-nucleant-public Public
Data and reproducibility code for the gallium supercooling-nucleant screen (Computational Materials Science)
- recycling-public Public
Reproducibility package (CALPHAD code + DFT data) for a study of interstitial O and N in recycled aerospace titanium
- DFT-informed-Zentropy-nucleation-model-cuzr-glass-public Public
Figures and runnable code for the DFT-informed Zentropy nucleation model of glass-forming ability in Cu-Zr and Zr-Cu-Al alloys (Odinzen LLC / ASU). Apache-2.0.
People
This organization has no public members. You must be a member to see who’s a part of this organization.
Top languages
Loading…
Most used topics
Loading…