Princeton Plasma Physics Laboratory researchers have developed a new method for designing quantum materials by treating qubits as if they were individual molecules. Staff research scientist Mark Martirez “carved out” a small cluster of atoms around defects in diamond to apply established chemical modeling tools, dramatically speeding up the simulation process.
This approach has already identified promising materials, including novel boron and oxygen-based defects, for practical quantum sensors and computers functional at room temperature, a significant advantage over materials requiring extreme cooling. “Because we’re treating the qubits as molecules, the cost of calculating these defects is equivalent to the cost of just modeling a simple molecule,” Martirez said.
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