3 papers
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
We introduce population-transfer dynamics as a practical validation observable for active-space-derived reduced Hamiltonians in multistate reaction-center chemistry. Using a cytoch…
quant-ph2026
Dynamical structure factor with a pumping approach on a trapped-ion quantum computer
Etienne Granet, Keisuke Murota, Henrik Dreyer +3
Dynamical structure factors (DSF) measured with neutron-scattering experiments provide key insights into the structure of materials. Their computation requires both the preparation…
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…