Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.
Created Crystalite
Created Crystal-Likeness Score (PU-CGCNN)
Created mCGCNN
Created cifkit
Created Exchange couplings (TB2J)
Created Projected density of states
Created Band gap
Created Magnetic moments
Created Magnetic anisotropy energy
Created Charge density
Created Ground-state SCF
Created Band structure
Created Density of states
Created Ouro DFT (ABACUS)
Created Predict a crystal property with ALIGNN
Created Generate surface slabs
Created Explore a chemical system with GGen
Created Generate a crystal structure using GGen
Created Generate a GGen system report
Created Scout candidate elements with GGen