Guiding diamond spin qubit growth with computational methods

Spin defects in semiconductors play a major role in quantum technologies. Synthesizing high-quality spin qubits relies on controlling the incorporation of noise sources, such as other, unwanted spin defects, into the host crystal. In this work, the authors provide quantitative calculations of the coherence properties of spin qubits in diamond. They incorporate these results into an existing materials synthesis platform to develop predictive models and $i\phantom{\rule{0}{0ex}}n$ $s\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}t\phantom{\rule{0}{0ex}}u$ feedback for more reliable creation of qubits tailored to applications.