QuAADS Publications

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FY 2026

  1. Alexeev, Y.; Batista, V.S.; Bauman, N.P.; Bartels, L.W.; Claudino, D.; Dutta, R.; Gagliardi, L.; Godwin, L.S.; Govind, N.; Head-Gordon, M. P.; Hermes, M.T.; Kowalski, K.; Li, A.; Liu, C.; Liu, J.; Liu, P.; Garcia-Lustra, J.M.; Mejia Rodriguez, D.; Mueller, K.T.; et. al. A perspective on quantum computing applications in quantum chemistry using 25-100 logical qubits. J. Chem. Theory Comput. 2025. 21(22), 11335-11357. DOI: 10.1021/acs.jctc.5c01038.
  2. Bauman, N.P.; Zheng, M.; Liu, C.; Myers, N.M.; Panyala, A.; Peng, B.; Li, A.; Kowalski, K. Coupled cluster downfolding theory in simulations of chemical systems on quantum hardware. Phys. Rev. Res. 2026. 8, 013072. DOI: 10.1103/b1t6-In6v.

FY 2025

  1. Singh, H.; Bertels, L. W.; Claudino, D.; Economou, S. E.; Barnes, E.; Bauman, N. P.; Kowalski, K.; Mayhall, N. J. Qubit-Efficient Quantum Chemistry with the Adapt Variational Quantum Eigensolver and Double Unitary Downfolding. J. Chem. Theory Comput. 2025. 21(18), 8799-8811. DOI: 10.1021/acs.jctc.5c00896.
  2. Zheng, M.; Liu, C.; Stein, S.; Li, X.; Müelmenstädt, J.; Chen, Y.; Li, A., An Early Investigation of the Hhl Quantum Linear Solver for Scientific Applications. Algorithms. 2025. 18(8), 491. DOI: 10.3390/a18080491.
  3. Gulania, S.; Alexeev, Y.; Gray, S. K.; Peng, B.; Govind, N. Quantum Time Dynamics Mediated by the Yang-Baxter Equation and Artificial Neural Networks. J. Chem. Theory Comput. 2025.21(13), 6280-6291. DOI: 10.1021/acs.jctc.5c00353.
  4. Peng, B.; Su, Y.; Claudino, D.; Kowalski, K.; Hao Low, G.; Roetteler, M. Quantum Simulation of Boson-Related Hamiltonians: Techniques, Effective Hamiltonian Construction, and Error Analysis. Quantum Sci. Technol. 2025, 10. DOI: 10.1088/2058-9565/adbf42.