Peer-reviewed research & preprints

Publications

  1. 2026 Preprint

    Post-Optimization Subspace Corrections to Quantum Ansätze

    Prince Frederick Kwao, Bharath Sambasivam, Jason Saroni, Srivathsan Poyyapakkam Sundar, Edwin Barnes, Ayush Asthana

    arXiv:2610.19109 · 2026

    Studies how Krylov and identity-augmented q-sc-EOM corrections improve truncated variational states without adding ansatz layers or repeating nonlinear optimization.

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  2. 2026 Preprint

    Resolving molecular biexcited states using classical leading-order triples corrections to quantum equation-of-motion UCCSD

    Zachary W. Windom, Prince Kwao, Luke Bertels, Daniel Claudino, Ayush Asthana, Rodney J. Bartlett

    arXiv:2610.09260 · 2026

    Adds a classical perturbative triples correction to q-sc-EOM-UCCSD to improve the description of molecular states with strong double-excitation character.

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  3. 2026 Journal article

    Generalized Eigenvalue Problem in Subspace-Based Excited-State Methods for Quantum Computers

    Prince Frederick Kwao, Srivathsan Poyyapakkam Sundar, Brajesh Gupt, Ayush Asthana

    Journal of Chemical Theory and Computation 22, 2892–2903 (2026)

    Examines generalized eigenvalue formulations used in subspace-based quantum excited-state calculations and their numerical considerations.

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  4. 2026 Preprint

    Molecular Excited States using Quantum Subspace Methods: Accuracy, Resource Reduction, and Error-Mitigated Hardware Implementation of q-sc-EOM

    Srivathsan Poyyapakkam Sundar, Prince Frederick Kwao, Alexey Galda, Ayush Asthana

    arXiv:2604.05380 · 2026

    Benchmarks q-sc-EOM excited-state calculations and explores ways to reduce measurement requirements and mitigate errors on quantum hardware.

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