Understanding the magnetic environment of spin qubits from first principles

The magnetic environment of spin qubits plays a key role in their applications in quantum information. For example, while the nuclear spin bath of material acts as a noise source for an electronic spin defect as qubit platforms, the spin-possessing nuclei can also be used as auxiliary quantum memories. They provide an excellent platform for long-term quantum information storage due to their low coupling to the magnetic environment.

Over the last fifty years, computing evolved into a third pillar of science, alongside theory and experiment. As such, the first-principles simulations of spin qubits provide a rare opportunity to completely shift the paradigm of how we approach the characterization and interpretation of the experiments on spin qubits from the individual investigation towards the automation and an industrial scale.