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Quandidate
Quandidate is a quantum chemistry software that provides pioneering solution to discover new molecular and point-defect qubit candidates. Our solution allows you to explore the properties of new qubit candidates in advance, and to accelerate the costly experimental discovery process. Quandidate only requires the chemical structure as input, and provides output data for experimentally observable quantities, such as relaxation lifetimes, photon emission counts and spectra. We offer Quandidate as a service for both experimentalists and theorists across academia and industry.
Key features
- Accurate description of point-defect electronic states, including the ground state and the excited states accessible by laser.
- Full rate model including photoluminescence, internal conversion and intersystem crossing, yielding relaxation lifetimes and photon emission counts.
- Absorption and photoluminescence spectra, directly comparable with optical measurements.
- Simulation of optically detected magnetic resonance (ODMR) spectra and contrast.
- Simulation of qubit initialization, polarization and readout under laser excitation.
Why Quandidate?
- Automated workflow: the defect structure is the only input.
- High-level quantum chemistry beyond conventional DFT approaches and beyond the Born–Oppenheimer approximation.
- Predicts experimentally observable quantities before costly experiments.
