Hoffman develops and applies electron-nuclear double resonance (ENDOR) spectroscopy -- a combination of EPR and NMR -- to resolve individual hyperfine-coupled nuclei at metalloenzyme active sites with atomic-scale precision, work that has revealed mechanisms of nitrogenase nitrogen fixation, radical-SAM enzyme catalysis, and copper/methane monooxygenase chemistry. The technique pushes magnetic-resonance spectroscopic resolution well past what conventional EPR can resolve, in a manner methodologically continuous with molecular spin-qubit sensing.
McInnes leads the National EPR Facility at Manchester (Europe's broadest EPR suite) and researches molecular spin qubits. Research directions: (1) Pulsed EPR spectroscopy of molecular spin systems — Hahn echo, ESEEM, ENDOR, DEER for structural and electronic characterization of inorganic and organometallic complexes; (2) Molecular spin qubits — [Cu(mnt)2]²⁻ and related molecules as candidate qubits; measuring coherence times and investigating decoherence mechanisms; (3) Multi-qubit molecular registers — using exchange interactions for two-qubit gates within a molecule; (4) Magnetic sensing applications — molecular systems for magnetic field sensing below the diffraction limit. Partner of NPL M4Q EPSRC Network for Materials for Quantum.
Roessler uses continuous-wave and pulsed EPR/ENDOR spectroscopy to probe paramagnetic metal centres and radical intermediates in catalytic and bioinorganic systems, work that overlaps with the use of molecular spin centres as candidate EPR-addressable qubits/sensors.