QuAADS Publications

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FY 2026

 

FY26

  1. Kowalski, K.; Bauman, N. P., Single-Reference Coupled-Cluster Theory Based on the Multi-Purpose Cluster Operator. J Chem Phys. 2026, 165, 014110. DOI: 10.1063/5.0330044. 07/02/2026.

  2. Huang, P.-W.; Boyd, G.; Anselmetti, G.-L. R.; Degroote, M.; Moll, N.; Santagati, R.; Streif, M.; Ries, B.; Marti-Dafcik, D.; Jnane, H.; Simon, S.; Wiebe, N.; Bromley, T. R.; Koczor, B., Fullqubit Alchemist: Quantum Algorithm for Alchemical Free Energy Calculations. npj Quantum Information. 2026. DOI: 10.1038/s41534-026-01275-2. 06/23/2026.

  3. Dutta, R.; Illa, M.; Govind, N.; Kowalski, K., Fermionic Mean-Field Dynamics for Spin Systems Beyond Free Fermions. J Chem Phys. 2026. 164, 234109. DOI: 10.1063/5.0336867.  06/21/2026. 

  4. Garner, S. R.; Myers, N. M.; Wang, M.; Stein, S.; Liu, C.; Li, A. Simulation of Thermal-Relaxation Noise for Quantum Error Correction. Phys. Review. Res. 2026. 8, 023134. DOI: 10.1103/hgnj-v4j7. 05/07/2026. 

  5. Jebraeilli, A.; Liu, C.; Yin, K.; Stein, S.; Lentz, E.; Ding, Y.; Li, A. STQS: A Unified System Architecture for Spatial Temporal Quantum Sensing. ACM Transactions on Quantum Computing 2026. 7, 1-34. DOI: 10.1145/3795881. 4/20/2026. 

  6. Goldstein-Gelb, B.; Kiu, K.; Martyn, J. M.; Zhou, H.; Ding, Y.; Liu, Y. Compas: A Distributed Multi-Party Swap Test for Parallel Quantum Algorithms. ASPLOS ’26 2026. 2, 426-441. DOI: 10.1145/3779212.3790143.  03/22/2026. 

  7. Stein, S.; Liu, C.; Kan, S.; Crane, E.; Ding, Y.; Mao, Y.; Schuckert, A.; Li, A. Multi-Target Rydberg Gates Via Spatial Blockade Engineering. Phys. Review. Res. 2026. 8, 013254. DOI: 10.1103/k72m-9tn8. 03/06/2026. 

  8. 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. Review. 2026. 8, 013072. DOI: 10.1103/b1t6-In6v. 01/23/2026. 

  9. 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.; Otten, M.; Peng, B.; Raugas, M.; Reiher, M.; Rigor, P.; Shaw, W. J.; van Schilfgaarde, M.; Vegge, T.; Zhang, Y.; Zheng, M.; Zhu, L. 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.  11/25/2025. 

     

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.; Y. Alexee; S.K. Gray; B. Peng; N. Govind. 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(2), 023002. DOI: 10.1088/2058-9565/adbf42.