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DOE OSTI · 3364668

Scalable quantum computational science: A perspective from block-encodings and polynomial transformations

Joven, Kevin J. [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000347307053)·Das, Elin Ranjan [North Carolina State University, Raleigh, NC (United States)] (ORCID:0009000986901523)·Bierman, Joel [North Carolina State University, Raleigh, NC (United States)]·Majumdar, Aishwarya [North Carolina State University, Raleigh, NC (United States)] (ORCID:0009000828000455)·Heris, Masoud Hakimi [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000173885856)·Liu, Yuan [North Carolina State University, Raleigh, NC (United States)] (ORCID:000000031468942X)
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Abstract

Significant developments made in quantum hardware and error correction recently have been driving quantum computing toward practical utility. However, gaps remain between abstract quantum algorithmic development and practical applications in computational sciences. In this perspective article, we propose several properties that scalable quantum computational science methods should possess. We further discuss how block-encodings and polynomial transformations can potentially serve as a unified framework with the desired properties. Recent advancements on these topics are presented, including the construction and assembly of block-encodings, and various generalizations of quantum signal processing (QSP) algorithms to perform polynomial transformations. The scalability of QSP methods on parallel and distributed quantum architectures is also highlighted. Promising applications in simulation and observable estimation in chemistry, physics, and optimization problems are presented. We hope this perspective serves as a gentle introduction to state-of-the-art quantum algorithms for the computational science community and inspires future development of scalable quantum computational science methodologies that bridge theory and practice.

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Bayesian inferenceComputational physicsQuantum algorithmsQuantum computingQuantum informationSignal processing

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Joven, Kevin J. [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000347307053), Das, Elin Ranjan [North Carolina State University, Raleigh, NC (United States)] (ORCID:0009000986901523), Bierman, Joel [North Carolina State University, Raleigh, NC (United States)], Majumdar, Aishwarya [North Carolina State University, Raleigh, NC (United States)] (ORCID:0009000828000455), Heris, Masoud Hakimi [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000173885856), Liu, Yuan [North Carolina State University, Raleigh, NC (United States)] (ORCID:000000031468942X). 2026-02-05. Scalable quantum computational science: A perspective from block-encodings and polynomial transformations. https://doi.org/10.1063/5.0312254

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