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Princeton researchers have significantly accelerated the discovery of room-temperature quantum materials by modeling qubit defects as isolated molecules, leveraging standard chemical tools to bypass traditional computational bottlenecks. This method successfully identified new candidates like boron and oxygen-based defects in diamond, enabling faster design cycles for practical quantum sensors and computers without requiring extreme cooling.

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Princeton lab finds faster way to design quantum materials with chemistry

Quantum ZeitgeistOctober 14, 20263 min read

Princeton Plasma Physics Lab’s new approach uses quantum chemistry to accelerate the design of materials, like nitrogen-vacancy diamonds, for advanced quantum sensors and computers.

Image: Michael Livingston – PPPL · pppl.gov 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…

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