Group updates
Papers, funding, talks, awards, and group milestones.
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Prince’s new preprint, in collaboration with Virginia Tech, shows how Krylov and q-sc-EOM corrections can improve energy accuracy and reduce circuit and measurement costs in adaptive quantum algorithms. Read the preprint.
Ayush was selected for the 2026 DOE Office of Science Early Career Research Program. The project will develop spinor Krylov algorithms to tackle the f-electron challenge in heavy-element chemistry using classical and early fault-tolerant quantum computers. DOE selection list · Project details.
Congratulations to Prince Frederick Kwao on receiving the Dr. Tao Yu Memorial Scholarship Award and the Dr. Ernest and Jennie Coon Scholarship Award!
In collaboration with Oak Ridge National Laboratory (ORNL), we posted a new preprint on classical leading-order triples corrections to a quantum equation-of-motion method for molecular biexcited states. arXiv:2610.09260.
Welcome to Hansika Khatri, who joined the Asthana Group as a Ph.D. student.
Prince presented a poster on his recent work, Post-Optimization Subspace Corrections to Quantum Ansatz, at the ACS Fall meeting in Chicago. His participation was partly funded by his Excellent Presenter award at the ACS Red River Valley Conference.
Welcome to Tanya Keshari, who joined the Asthana Group as a Ph.D. student.
Thank you to Dr. Aditya Aiyer from Lehigh University for visiting the Asthana Group to give a talk and discuss research on quantum computing algorithms for fluid dynamics.
Welcome to Edward Tortorelli, who joined the Asthana Group as an undergraduate researcher.
Check out our new preprint with Virginia Tech on molecular excited-state manifolds and energies using TEPID-ADAPT-VQE. arXiv:2606.29547.
Ayush gave the talk, "Quantum Krylov using unitary decomposition for exact and tunable Krylov subspaces", at the 18th International Congress on Quantum Chemistry (ICQC 2026) at UC Berkeley.
Prince and Sonal attended the 56th Midwest Theoretical Chemistry Conference (MWTCC56) at the University of Minnesota. Prince and Mushir attended NC State's 2026 Quantum Summer Learning Workshop, and Prince and Sonal attended ESW26 - Workshop on Recent Developments in Electronic Structure at the University of Wisconsin-Madison.
The group hosted amazing theoretical chemists Drs. Xiaosong Li, Francesco Evangelista, Bo Peng, and Vibin Abraham during the spring (funded by UND Chemistry and NSF EPSCoR Fellow).
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Prince passed his candidacy exam. He is doing great work, and the committee was very impressed. Keep an eye on upcoming papers from Prince. Congratulations, Prince!
Sri's new preprint studies q-sc-EOM for accuracy, resource reduction, and error-mitigated hardware implementation. arXiv:2604.05380.
The group is part of the 2026-2029 DOE ARPA-E QC3 project, "Quantum-Classical Ab Initio Co-Simulation of Unconventional Superconductors" with Infleqtion and NREL. The project totals $3.9M, with $600K supporting the Asthana Group. Project description.
Sri and Prince presented talks at the APS March Meeting in Denver.
Ayush gave an invited plenary talk, "Quantum algorithms for challenging problems in ground and excited state quantum chemistry", at the 65th Sanibel Symposium.
Prince won the Excellent Presenter award at the ACS Red River Valley Conference.
Sri's preprint introduces benchmark systems for testing quantum algorithms in challenging correlation regimes. arXiv:2601.10813.
Welcome to Sonal Jain, who joined the Asthana Group as a Ph.D. student.
Dr. Mushir Thodika joined as a postdoctoral researcher, bringing experience in quantum chemistry and materials simulation.
Ayush posted a new preprint on QKUD, a quantum Krylov formulation using unitary decomposition. arXiv:2512.11788.
Prince won the Graduate Student Travel Award from UND to attend the APS March Meeting in Denver.
Prince won a Graduate Student Travel Award from the UND Division of Research and Economic Development to attend the Midwest Theoretical Chemistry Conference at Wayne State University.
Ayush gave an invited talk, "Towards quantum chemistry using quantum computers," at the University of Minnesota.
The group attended the APS Global Meeting in Anaheim, California.
Prince's paper on the generalized eigenvalue problem in excited-state quantum subspace methods appeared as a preprint. arXiv:2503.09670.
The NSF EPSCoR Fellow award supports collaboration with Dr. Bo Peng at PNNL and development of quantum algorithms for early fault-tolerant quantum computers. NSF award.
Sean joined the group through a collaboration with Prof. Yen Lee Loh.
Ayush gave an invited keynote talk at an IEEE Quantum Week workshop on chemical applications of quantum computing.
The group received an NSF ExpandQISE award in collaboration with Prof. Ed Barnes and Prof. Sophia Economou from Virginia Tech. NSF award.
Olusayo joined as a graduate student.
Dr. Srivathsan Sundar joined as a postdoctoral researcher in quantum computing applications in chemistry.
Ayush gave invited talks at the APS March Meeting, NREL Questaal Workshop, and Concordia University.
The group received UND Early Career Grant support in collaboration with Dr. Ahmed Abdelhadi and Dr. Mark Hoffmann. UND Today.
Amazon Braket provided quantum and classical hardware resources to the group for research.
Ayush gave invited talks at IEEE Quantum Week, IIT Bombay, TIFR Mumbai, the University of Hyderabad, and UND Physics.
Prince Kwao joined the lab as a graduate student.