Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

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Yuri Alexeev, Maximilian Amsler, Marco Antonio Barroca, Sanzio Bassini, Torey Battelle, Daan Camps, David Casanova, Young Jay Choi, Frederic T. Chong, Charles Chung, Christopher Codella, Antonio D. Córcoles, James Cruise, Alberto Di Meglio, Ivan Duran, Thomas Eckl, Sophia E. Economou, Stephan J. Eidenbenz, Bruce Elmegreen, Clyde Fare et al. (108 additional authors not shown)

Published: 01 Jan 2024, Last Modified: 04 Nov 2025Future Gener. Comput. Syst. 2024EveryoneRevisionsBibTeXCC BY-SA 4.0
Abstract: Highlights•Fundamental quantum algorithms to construct quantum–classical workflows.•Classical processing to alleviate quantum workloads and deal with large data.•Classical workload management and programming models for quantum workflows.•Use cases representative of the variety of topics in materials science.