Research Areas - (4) First-Principles Spin Defect Modeling

Full path: Physics > Quantum Information / Computing > Spin Qubits > First-Principles Spin Defect Modeling

Department(s)/lab(s): PME / Chemistry | Galli Group @ UChicago
Summary:

Develops computational methods (DFT + many-body perturbation theory, quantum embedding) to predict properties of spin defects for quantum sensing and computing. Directions: (1) first-principles prediction of coherence properties, zero-phonon lines, and spin-photon coupling for NV, SiC divacancy, Er, and other color center platforms; (2) high-throughput screening of novel spin defect candidates in 2D materials and oxides; (3) quantum embedding methods for strongly correlated defects. Director MICCoM; NAS member; Argonne senior scientist.

Department(s)/lab(s): Physics / LKB | PICO Group (Gigan Lab) @ ENS Paris
Summary:

Sylvain Gigan's PICO (Photonics, Information, and Complexity) group focuses on imaging through and with complex and scattering media. Research: (1) wavefront shaping through scattering media β€” adaptive optics and transmission matrix approaches for deep-tissue fluorescence imaging; (2) multimode quantum optics through complex media β€” pushing quantum light through scattering and multi-mode fibres; (3) analogue computing with random optical scattering media. Key for biosensing: deep tissue imaging at high spatial resolution and quantum-enhanced light manipulation.

Department(s)/lab(s): School of Physics | Quantum Biotechnology and Diamond Sensing Group (Hollenberg) @ UMelb
Summary:

Hollenberg is the intellectual centre of gravity for diamond quantum sensing in Australia: a theorist-turned-programme-leader whose group develops NV-based quantum probes for biological systems and quantum-computing architectures in silicon and diamond. Current directions include the quantum-probe hyperspectral microscope, in which NV ensembles in a bulk diamond substrate report magnetic and spin-noise contrast from cells cultured directly on the surface; nanodiamond quantum probes for intracellular relaxometry and free-radical detection; theory of decoherence-based sensing (T1 relaxometry as a chemical-specificity channel rather than a nuisance); and single-cell magnetic resonance. He co-leads the Melbourne node of the ARC Centre of Excellence in Quantum Biotechnology (QUBIC) with Simpson and Hinde, which is explicitly chartered to build quantum sensors for live biology, including portable brain imagers. Positioned against the established body of NV-ensemble quantum sensing work β€” DEER, nanoscale NMR and T1 relaxometry protocols operating at pT/sqrt(Hz) field sensitivity β€” his programme is one of the small number worldwide that has carried those ensemble protocols all the way into cell culture and tissue rather than stopping at proof-of-principle magnetometry. Preferred attribute present: the group's emphasis is on sensitivity and biological specificity rather than device fabrication, and QUBIC funding runs to 2030 with recurring postdoc recruitment.

Department(s)/lab(s): School of Physics | Rahman Atomistic Quantum Device Modelling Group @ UNSW
Summary:

Rahman does large-scale atomistic modelling of semiconductor quantum devices: tight-binding and DFT calculations of donor and quantum-dot wavefunctions, valley physics, spin-orbit coupling, hyperfine interactions and the response of all of these to strain and electric field, at system sizes large enough to represent a real device. The group works hand-in-glove with the Morello, Dzurak, Simmons and Rogge experiments, and increasingly uses machine learning to invert measurements into structural information. Positioned against the established body of NV-ensemble quantum sensing work β€” DEER, nanoscale NMR and T1 relaxometry protocols operating at pT/sqrt(Hz) field sensitivity β€” the same first-principles machinery is what predicts the hyperfine and spin-bath environment that determines T2 β€” and therefore the achievable pT/sqrt(Hz) sensitivity β€” of any solid-state spin sensor, including NV. Computational PI; would suit a candidate wanting a theory/experiment bridge role.