The Gated Quantum Resonator: A Bayesian Circuit–Hamiltonian Framework for Catalysis, Enzymology, Materials Science and UPE.

Abstract Molecular dynamics (MD) and QM/MM have transformed molecular simulation, and cost the Earth, via Global Warming contributions. We present the Gated Quantum Resonator (GQR) framework: a chemistry-forward, Bayesian, circuit–Hamiltonian model in which reactive coordinates are treated as coupled vibronic–electronic resonators with gateable couplings. Linearization maps directly to RLC networks compatible with SPICE-class solvers,1, 2 and a Bayesian gate update integrates spectroscopic or mechanistic evidence into effective couplings.3–8 GQR promises to replace MD/QM by rapidly exploring parameter space and reproducing tunneling anomalies and vibronic signatures that connect to 2D-IR and ET observables.9–15 We outline extensions to enzymology, electrocatalysis, and plasma catalysis as non-equilibrium, gate-driven regimes.16–19 This framework also provides a mechanistic explanation of ultraweak photon emission (UPE) as radiative leakage from gated resonators, linking spectroscopy, tunneling, and biological light emission within a unified picture.