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active space methods 1electronic dynamics 1quantum computing 1reaction-center chemistry 1trapped-ion hardware 1

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1 paper

quant-ph2026

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

Shintaro Maekawa, Takao Otsuka, Riku Masui +4

The paper presents a workflow that builds reduced Hamiltonians from SA-CASSCF calculations for a cytochrome P450‑inspired iron complex, maps them to quantum circuits, and runs mult…