Publications

Journal Articles


Quantum Circuit for Non-Unitary Linear Transformation of Basis Sets

Published in , 2025

[To appear in npj Quantum Inf.] This paper introduces a novel approach to implementing non-unitary linear transformations of basis on quantum computational platforms, a significant leap beyond the conventional unitary methods.

Recommended citation: Zhu, G., Bierman, J., Lu, J., & Li, Y. (2025). Quantum Circuit for Non-Unitary Linear Transformation of Basis Sets. arXiv preprint arXiv:2502.08962.
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Preprints


State-Specific Orbital Optimization for Enhanced Excited-States Calculation on Quantum Computers

Published in , 2025

We propose a state-specific orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for the use on near-term quantum computers.

Recommended citation: Zhu, G., Bierman, J., Lu, J., & Li, Y. (2025). State-Specific Orbital Optimization for Enhanced Excited-States Calculation on Quantum Computers. arXiv preprint arXiv:2510.13544.
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