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; Juan W. Pedersen; David Muñoz Ramo; Yasushi Okuno

doi:10.1021/acs.jctc.6c01410

title	A Quantum-HPC Hybrid Workflow for Reaction-Center Electronic Dynamics: Application to a Cytochrome P450-Inspired Iron-Complex Model
authors	Shintaro Maekawa, Takao Otsuka, Riku Masui, Juan W. Pedersen, David Muñoz Ramo, Yasushi Okuno, et al.
date	2026-10-31
venue	Journal of Chemical Theory and Computation
id	doi:10.1021/acs.jctc.6c01410
affiliation	Kyoto University; Quantinuum (United Kingdom); Quantinuum (United States); RIKEN Center for Computational Science
links	doi arXiv

cite

@article{maekawa2026quantum,
  title={A Quantum-HPC Hybrid Workflow for Reaction-Center Electronic Dynamics: Application to a Cytochrome P450-Inspired Iron-Complex Model},
  author={Shintaro Maekawa and Takao Otsuka and Riku Masui and Juan W. Pedersen and David Muñoz Ramo and Yasushi Okuno and others},
  journal={Journal of Chemical Theory and Computation},
  year={2026},
  doi={10.1021/acs.jctc.6c01410}
}