Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Predicts maximum COâ‚‚ adsorption capacity for hypothetical MOF structures.
Predicts the gravimetric surface area for hypothetical MOF structures.
Predicts the volumetric surface area for hypothetical MOF structures.
Predicts the pore limiting diameter for hypothetical MOF structures.
Predicts the largest cavity diameter for hypothetical MOF structures.
Predicts the void fraction for hypothetical MOF structures.
Predicts the electronic band gap from the JARVIS-DFT TBmBJ functional. Generally more accurate than PBE/optB88vdW for band gaps.
Predicts the spin-orbit spillage, a descriptor for identifying potential topological materials. Higher values suggest stronger SOC effects.
Predicts the spectroscopic limited maximum efficiency (SLME) for solar cell absorber screening.
Predicts the average electron effective mass.
Predicts the average hole effective mass.
Predicts the conduction band minimum energy.
Predicts the valence band maximum energy.
Predicts the work function.
Predicts the DFT formation energy per atom from the JARVIS-DFT optB88vdW dataset.
Predicts the DFT total energy per atom from the JARVIS-DFT optB88vdW dataset.
Predicts the energy above the convex hull, a measure of thermodynamic stability. Lower values indicate more stable phases.
Predicts formation energy per atom using a model trained on Materials Project data.
Predicts the electronic band gap from the JARVIS-DFT optB88vdW functional.