We are harnessing the atomistic structural control inherent to synthetic chemistry to design, synthesize, and understand materials for quantum information science. For this talk, I will describe recent work on using an inverse design approach to replicate the electronic structure of defects based qubits, such as the NV center in diamond, in a molecular transition metal platform. This approach enabled us to create molecular qubits where the spin information is read out using light, analogous with defect-based spin qubits such as the anionic NV center in diamond. Our molecular analogues seamless integrate with a well developed spectroscopic infrastructure, while adding structural and electronic tunability and spatial control.

Chemistry for the second quantum revolution

ACS Fall 2021

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