active space methods 1electronic dynamics 1quantum computing 1reaction-center chemistry 1trapped-ion hardware 1
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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…
quant-ph2026
Quantum-HPC hybrid computation of biomolecular excited-state energies
Kentaro Yamamoto, Riku Masui, Takahito Nakajima +16
We develop a workflow within the ONIOM framework and demonstrate it on the hybrid computing system consisting of the supercomputer Fugaku and the Quantinuum Reimei trapped-ion quan…
quant-ph2024
Computational Characterization of Symmetry-Protected Topological Phases in Open Quantum Systems
Riku Masui, Keisuke Totsuka
It is a challenging problem to correctly characterize the symmetry-protected topological (SPT) phases in open quantum systems. As the measurement-based quantum computation (MBQC) u…