#electronic dynamics

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1 paper match

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…

#quantum computing#electronic dynamics#active space methods#reaction-center chemistry