Description: Wavefunction-based methods for strongly correlated electron systems.
Boskovic is a synthetic inorganic chemist working on lanthanoid and polyoxometalate molecular magnets, valence tautomeric and redox-switchable complexes, and the design of molecules whose spin states can be addressed and switched. The group's relevance to quantum sensing is that these are chemically tunable spin qubits: unlike solid-state defects, their coordination environment, nuclear-spin bath and anisotropy can be designed atom by atom, which is the argument for molecular qubits as sensors. Characterisation is by SQUID magnetometry, EPR and ab initio calculation. Positioned against the established body of NV-ensemble quantum sensing work — DEER, nanoscale NMR and T1 relaxometry protocols operating at pT/sqrt(Hz) field sensitivity — molecular spin qubits are the chemistry community's answer to the NV centre, and DEER/pulsed-EPR protocols developed for NV ensembles at pT/sqrt(Hz) transfer more or less directly to these systems. Borderline inclusion (synthesis-led rather than sensitivity-led), kept per the inclusive rubric.
Flambaum is one of the most cited atomic theorists alive and the intellectual source of a large fraction of the modern precision-AMO new-physics programme. His group computes the atomic and molecular structure factors that convert an experimental frequency shift into a bound on new physics: enhancement factors for electron and nuclear EDMs, atomic parity violation, the sensitivity of clock transitions to variation of the fine-structure constant, and — most relevant to quantum sensing — the response of atomic clocks, magnetometers and comagnetometers to ultralight/axion-like dark matter fields. He proposed much of the theory behind using networks of quantum sensors as dark matter detectors. Positioned against the established body of NV-ensemble quantum sensing work — DEER, nanoscale NMR and T1 relaxometry protocols operating at pT/sqrt(Hz) field sensitivity — his theory is what tells an experimentalist what a pT/sqrt(Hz) magnetometer or a 10^-18 clock actually constrains: without it, a spin-precession measurement is just a number. Theory group; a sensing postdoc would collaborate rather than join.
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.
Giansiracusa is an early-career PI (ARC DECRA) working on ytterbium and other lanthanoid single-molecule magnets, combining synthesis, magnetometry and ab initio electronic-structure calculation to understand and engineer magnetic anisotropy and spin relaxation. The stated aim of his DECRA is to move Yb-based single-molecule magnets toward real-world application, which in practice means qubit and sensor use cases where long coherence at accessible temperatures matters. Positioned against the established body of NV-ensemble quantum sensing work — DEER, nanoscale NMR and T1 relaxometry protocols operating at pT/sqrt(Hz) field sensitivity — the relaxation-time engineering problem he is attacking is the molecular analogue of the T1/T2 optimisation that sets pT/sqrt(Hz) performance in NV ensembles. Small, new group; a candidate would have unusual latitude but limited infrastructure.
Kassal is the leading Australian theorist of quantum effects in light harvesting. He established the distinction between coherent processes and coherent states in photosynthesis — showing that under incoherent sunlight at steady state, wavelike motion per se does not enhance efficiency, while environment-assisted transport and supertransfer genuinely can — and has since developed a classification of the mechanisms by which coherence (excitonic, vibrational, or of the light field itself) can improve energy transport. He also pioneered quantum-computer algorithms for chemistry. A distinct and directly relevant thread is the theory of spectroscopy with non-classical light: what entangled or squeezed photons can reveal about molecular coherence that classical light cannot. Positioned against the established body of NV-ensemble quantum sensing work — DEER, nanoscale NMR and T1 relaxometry protocols operating at pT/sqrt(Hz) field sensitivity — his work is the theoretical counterpart to the quantum-biology ambitions of the NV community: where NV ensembles at pT/sqrt(Hz) try to detect the magnetic signatures of biological spin chemistry, Kassal asks what quantum coherence is actually doing in those systems and whether quantum light can interrogate it.
Olaya-Castro leads theoretical research on quantum phenomena in biological systems. Research directions: (1) Quantum coherence in photosynthesis — open quantum systems theory for energy transfer in light-harvesting complexes, probing whether quantum coherence provides functional advantage; vibronic coupling models for chromophore-protein complexes; (2) Counting statistics and noise in exciton and charge transfer; (3) Quantum thermodynamics of biomolecular machines — efficiency limits and entropy production in molecular motors; (4) Non-classical features of electronic/vibrational dynamics in chromophores; (5) Connections between quantum information measures and biological function. Collaborates with Bain and Llorente-Garcia on joint experiment/theory biosensing projects. Theoretical work only — no experimental activity.