Author

Qi Gao

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Preprint Sep 2026

Quantum--classical break-even in electronic dynamics of macrocyclic molecules

Here we demonstrate quantum--classical break-even for chemical dynamics applications, reaching useful accuracy with a quantum-hardware wall-clock time comparable to that estimated for practical classical computing resources. Specifically, we construct a quantum workflow for electronic dynamics based on tensor-network c...

Shutaroh Kanno, Kenji Sugisaki, T. Imamichi et al. · 0 citations

Open access Jul 2026

Quantum Computing Calculations of Protein–Ligand Binding Energies Using Decomposition Methods on Simulated and Real Quantum Hardware

The results demonstrated that the use of quantum algorithms can enhance the binding energy correlation value, offering potential applications in the workflow of computer-aided drug design.

Hironobu Kitajima, Carlos Bistafa, Takao Kobayashi et al. · Journal of Chemical Informat... · 0 citations