Quantinuum (United Kingdom)

A Quantum-HPC Hybrid Workflow for Reaction-Center Electronic Dynamics: Application to a Cytochrome P450-Inspired Iron-Complex Model

Abstract We introduce population-transfer dynamics as a practical validation observable for active-state-derived reduced Hamiltonians in multistate reaction-center chemistry. In transition-metal systems, missing couplings or configurations can compromise the reliability of reduce...

Unitary causal decompositions: a characterisation via lattice theory

If a unitary transformation has a circuit representation with no directed path from input a to output b , then a does not influence b through the overall unitary. Conversely, if a unitary satisfies a number of no-influence conditions, it is natural to wonder whether a circuit dec...