Applications of Quail modeling software on electronic materials
Quail calculation of electrons in a 2nm Ge cluster (yellow) embedded in Si (purple) matrix. Inset shows the DOS at the x-y plane. Periodicity that plagues traditional calculations is fully avoided here.
Quail calculation of electrons in bilayer graphene of 30 degrees twist angle between the layers. Quasiperiodicity is not needed to be assumed, but results from the calculation.
Applications of Quail modeling software on molecular chemistry
Quail calculation of molecular energies including their explicit environment near the gas/liquid interface. Energies depend on the molecule's distance to the gas/liquid interfaces.
Quail calculations of protonated phenylhydrazine (a), indoline-2,3-dione (b), and the TSB transition state for their reaction (c) near the methanol/air interface.