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Sep 2026
Scalable Simulation of Quantum Dynamics on Topological Quantum Hardware
This work establishes a framework for the representation of quantum dynamics in molecular and condensed matter systems, designed for execution on topological quantum hardware, by leveraging the non-Abelian braiding statistics of Fibonacci and Ising anyons and the Solovay-Kitaev algorithm to approximate unitary propagat...
Kritanjan Polley, M. Tuckerman
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Review
Aug 2026
Designing robust molecular spins for quantum technologies with theoretical chemistry
Molecular spins represent a versatile platform for quantum information science, with the potential to offer chemically tunable, addressable qubits. However, achieving this requires understanding and mitigating quantum decoherence. This Chapter provides a theoretical overview of current state-of-the-art chemical theory...
Timothy J. Krogmeier, Pranay Venkatesh, Mikayla Z Fahrenbruch et al.
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Review
Aug 2026
Implementation Possibility of Quantum Simulation for Quantum Molecular Dynamics
In this work, we explore the implementation possibility of quantum simulation for quantum molecular dynamics, in particular for reaction dynamics, though several implementations have already reported through quantum-classical mixed simulations ({\it Acc. Chem. Res.} {\bf 54} (2021), 4229 and {\it J. Phys. Chem. Lett.}...
Xing-Yu Zhang, Wei-Jia Guo, Jin-Ke Yu et al.
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Preprint
Aug 2026
Hybrid HPC-Quantum Simulations: DFT-Quantum Embedding for Molecular Systems
This work presents a hybrid DFT-Quantum Embedding (QDFT) framework integrating classical HPC-based DFT with a quantum electronic-structure solver, demonstrating quantum embedding's potential to improve selected electronic-structure properties while retaining classical HPC's scalability.
N. Manglani, S. Maity, Shashank Sharma et al.
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Preprint
Sep 2026
Universality in Terms of The BECs Bloch-Sphere Manipulations
Quantum computing promises to outperform classical computing for certain computational tasks. One of the key concepts underlying this potential is universality. Universality has been extensively studied not only for qubits but also for higher-dimensional quantum systems, such as qutrits and qudits, which span Hilbert s...
Genji Fujii
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Preprint
Aug 2026
Scientific applications of quantum computing: challenges and opportunities
It is argued that near-term value is most likely to come from disciplined workflow integration rather than wholesale replacement of classical methods, and quantum computing will become scientifically valuable when it demonstrably reduces uncertainty in computed energies, rates, spectra, or materials stability after the...
Bruno Camino, C. R. Catlow, J. Buckeridge et al.
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