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Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions / Alexeev, Yuri (Argonne, PHY) ; Amsler, Maximilian (Unlisted, DE) ; Barroca, Marco Antonio (Rio de Janeiro, IMPA ; Rio de Janeiro, CBPF) ; Bassini, Sanzio (CINECA) ; Battelle, Torey (Arizona State U.) ; Camps, Daan (LBL, Berkeley) ; Casanova, David (Donostia Intl. Phys. Ctr., San Sebastian ; IKERBASQUE, Bilbao ; Basque U., Bilbao) ; Choi, Young Jai (Yonsei U.) ; Chong, Frederic T. (Chicago U.) ; Chung, Charles (IBM Watson Res. Ctr.) et al.
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. [...]
arXiv:2312.09733; FERMILAB-PUB-24-0001-SQMS.- 2024-05-31 - 45 p. - Published in : Future Gener. Comput. Syst. 160 (2024) 666-710 Fulltext: FERMILAB-PUB-24-0001-SQMS - PDF; 990a7c5cfb7293c88d2918a117658c8c - PDF; 2312.09733 - PDF; External link: Fermilab Accepted Manuscript

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