001037653 001__ 1037653
001037653 005__ 20250203124523.0
001037653 0247_ $$2doi$$a10.1016/j.future.2024.04.060
001037653 0247_ $$2ISSN$$a0167-739X
001037653 0247_ $$2ISSN$$a1872-7115
001037653 0247_ $$2datacite_doi$$a10.34734/FZJ-2025-00818
001037653 0247_ $$2WOS$$aWOS:001272127600001
001037653 037__ $$aFZJ-2025-00818
001037653 082__ $$a004
001037653 1001_ $$0P:(DE-HGF)0$$aAlexeev, Yuri$$b0
001037653 245__ $$aQuantum-centric supercomputing for materials science: A perspective on challenges and future directions
001037653 260__ $$aAmsterdam [u.a.]$$bElsevier Science$$c2024
001037653 3367_ $$2DRIVER$$aarticle
001037653 3367_ $$2DataCite$$aOutput Types/Journal article
001037653 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1737445508_5303
001037653 3367_ $$2BibTeX$$aARTICLE
001037653 3367_ $$2ORCID$$aJOURNAL_ARTICLE
001037653 3367_ $$00$$2EndNote$$aJournal Article
001037653 520__ $$aComputational models are an essential tool for the design, characterization, and discovery of novel materials. Computationally hard tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their resources for simulation, analysis, and data processing. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.
001037653 536__ $$0G:(DE-HGF)POF4-5111$$a5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511)$$cPOF4-511$$fPOF IV$$x0
001037653 536__ $$0G:(DE-HGF)POF4-5122$$a5122 - Future Computing & Big Data Systems (POF4-512)$$cPOF4-512$$fPOF IV$$x1
001037653 588__ $$aDataset connected to CrossRef, Journals: juser.fz-juelich.de
001037653 7001_ $$0P:(DE-HGF)0$$aAmsler, Maximilian$$b1
001037653 7001_ $$0P:(DE-HGF)0$$aBarroca, Marco Antonio$$b2
001037653 7001_ $$0P:(DE-HGF)0$$aBassini, Sanzio$$b3
001037653 7001_ $$0P:(DE-HGF)0$$aBattelle, Torey$$b4
001037653 7001_ $$0P:(DE-HGF)0$$aCamps, Daan$$b5
001037653 7001_ $$0P:(DE-HGF)0$$aCasanova, David$$b6
001037653 7001_ $$0P:(DE-HGF)0$$aChoi, Young Jay$$b7
001037653 7001_ $$0P:(DE-HGF)0$$aChong, Frederic T.$$b8
001037653 7001_ $$0P:(DE-HGF)0$$aChung, Charles$$b9
001037653 7001_ $$0P:(DE-HGF)0$$aCodella, Christopher$$b10
001037653 7001_ $$0P:(DE-HGF)0$$aCórcoles, Antonio D.$$b11
001037653 7001_ $$0P:(DE-HGF)0$$aCruise, James$$b12
001037653 7001_ $$0P:(DE-HGF)0$$aDi Meglio, Alberto$$b13
001037653 7001_ $$0P:(DE-HGF)0$$aDuran, Ivan$$b14
001037653 7001_ $$0P:(DE-HGF)0$$aEckl, Thomas$$b15
001037653 7001_ $$0P:(DE-HGF)0$$aEconomou, Sophia$$b16
001037653 7001_ $$0P:(DE-HGF)0$$aEidenbenz, Stephan$$b17
001037653 7001_ $$0P:(DE-HGF)0$$aElmegreen, Bruce$$b18
001037653 7001_ $$0P:(DE-HGF)0$$aFare, Clyde$$b19
001037653 7001_ $$0P:(DE-HGF)0$$aFaro, Ismael$$b20
001037653 7001_ $$0P:(DE-HGF)0$$aFernández, Cristina Sanz$$b21
001037653 7001_ $$0P:(DE-HGF)0$$aFerreira, Rodrigo Neumann Barros$$b22
001037653 7001_ $$0P:(DE-HGF)0$$aFuji, Keisuke$$b23
001037653 7001_ $$0P:(DE-HGF)0$$aFuller, Bryce$$b24
001037653 7001_ $$0P:(DE-HGF)0$$aGagliardi, Laura$$b25
001037653 7001_ $$0P:(DE-HGF)0$$aGalli, Giulia$$b26
001037653 7001_ $$0P:(DE-HGF)0$$aGlick, Jennifer R.$$b27
001037653 7001_ $$0P:(DE-HGF)0$$aGobbi, Isacco$$b28
001037653 7001_ $$0P:(DE-HGF)0$$aGokhale, Pranav$$b29
001037653 7001_ $$0P:(DE-HGF)0$$ade la Puente Gonzalez, Salvador$$b30
001037653 7001_ $$0P:(DE-HGF)0$$aGreiner, Johannes$$b31
001037653 7001_ $$0P:(DE-HGF)0$$aGropp, Bill$$b32
001037653 7001_ $$0P:(DE-HGF)0$$aGrossi, Michele$$b33
001037653 7001_ $$0P:(DE-HGF)0$$aGull, Emanuel$$b34
001037653 7001_ $$0P:(DE-HGF)0$$aHealy, Burns$$b35
001037653 7001_ $$0P:(DE-HGF)0$$aHermes, Matthew R.$$b36
001037653 7001_ $$0P:(DE-HGF)0$$aHuang, Benchen$$b37
001037653 7001_ $$0P:(DE-HGF)0$$aHumble, Travis S.$$b38
001037653 7001_ $$0P:(DE-HGF)0$$aIto, Nobuyasu$$b39
001037653 7001_ $$0P:(DE-HGF)0$$aIzmaylov, Artur F.$$b40
001037653 7001_ $$0P:(DE-HGF)0$$aJavadi-Abhari, Ali$$b41
001037653 7001_ $$0P:(DE-HGF)0$$aJennewein, Douglas$$b42
001037653 7001_ $$0P:(DE-HGF)0$$aJha, Shantenu$$b43
001037653 7001_ $$0P:(DE-HGF)0$$aJiang, Liang$$b44
001037653 7001_ $$0P:(DE-HGF)0$$aJones, Barbara$$b45
001037653 7001_ $$0P:(DE-HGF)0$$ade Jong, Wibe Albert$$b46
001037653 7001_ $$0P:(DE-HGF)0$$aJurcevic, Petar$$b47
001037653 7001_ $$0P:(DE-HGF)0$$aKirby, William$$b48
001037653 7001_ $$0P:(DE-HGF)0$$aKister, Stefan$$b49
001037653 7001_ $$0P:(DE-HGF)0$$aKitagawa, Masahiro$$b50
001037653 7001_ $$0P:(DE-HGF)0$$aKlassen, Joel$$b51
001037653 7001_ $$0P:(DE-HGF)0$$aKlymko, Katherine$$b52
001037653 7001_ $$0P:(DE-HGF)0$$aKoh, Kwangwon$$b53
001037653 7001_ $$0P:(DE-HGF)0$$aKondo, Masaaki$$b54
001037653 7001_ $$0P:(DE-HGF)0$$aKürkçüog̃lu, Dog̃a Murat$$b55
001037653 7001_ $$0P:(DE-HGF)0$$aKurowski, Krzysztof$$b56
001037653 7001_ $$0P:(DE-HGF)0$$aLaino, Teodoro$$b57
001037653 7001_ $$0P:(DE-HGF)0$$aLandfield, Ryan$$b58
001037653 7001_ $$0P:(DE-HGF)0$$aLeininger, Matt$$b59
001037653 7001_ $$0P:(DE-HGF)0$$aLeyton-Ortega, Vicente$$b60
001037653 7001_ $$0P:(DE-HGF)0$$aLi, Ang$$b61
001037653 7001_ $$0P:(DE-HGF)0$$aLin, Meifeng$$b62
001037653 7001_ $$0P:(DE-HGF)0$$aLiu, Junyu$$b63
001037653 7001_ $$0P:(DE-HGF)0$$aLorente, Nicolas$$b64
001037653 7001_ $$0P:(DE-HGF)0$$aLuckow, Andre$$b65
001037653 7001_ $$0P:(DE-HGF)0$$aMartiel, Simon$$b66
001037653 7001_ $$0P:(DE-HGF)0$$aMartin-Fernandez, Francisco$$b67
001037653 7001_ $$0P:(DE-HGF)0$$aMartonosi, Margaret$$b68
001037653 7001_ $$0P:(DE-HGF)0$$aMarvinney, Claire$$b69
001037653 7001_ $$0P:(DE-HGF)0$$aMedina, Arcesio Castaneda$$b70
001037653 7001_ $$0P:(DE-HGF)0$$aMerten, Dirk$$b71
001037653 7001_ $$00009-0007-8224-4517$$aMezzacapo, Antonio$$b72$$eCorresponding author
001037653 7001_ $$0P:(DE-Juel1)138295$$aMichielsen, Kristel$$b73$$ufzj
001037653 7001_ $$0P:(DE-HGF)0$$aMitra, Abhishek$$b74
001037653 7001_ $$0P:(DE-HGF)0$$aMittal, Tushar$$b75
001037653 7001_ $$0P:(DE-HGF)0$$aMoon, Kyungsun$$b76
001037653 7001_ $$0P:(DE-HGF)0$$aMoore, Joel$$b77
001037653 7001_ $$0P:(DE-HGF)0$$aMostame, Sarah$$b78
001037653 7001_ $$0P:(DE-HGF)0$$aMotta, Mario$$b79
001037653 7001_ $$0P:(DE-HGF)0$$aNa, Young-Hye$$b80
001037653 7001_ $$0P:(DE-HGF)0$$aNam, Yunseong$$b81
001037653 7001_ $$0P:(DE-HGF)0$$aNarang, Prineha$$b82
001037653 7001_ $$0P:(DE-HGF)0$$aOhnishi, Yu-ya$$b83
001037653 7001_ $$0P:(DE-HGF)0$$aOttaviani, Daniele$$b84
001037653 7001_ $$0P:(DE-HGF)0$$aOtten, Matthew$$b85
001037653 7001_ $$0P:(DE-HGF)0$$aPakin, Scott$$b86
001037653 7001_ $$0P:(DE-HGF)0$$aPascuzzi, Vincent R.$$b87
001037653 7001_ $$0P:(DE-HGF)0$$aPednault, Edwin$$b88
001037653 7001_ $$0P:(DE-HGF)0$$aPiontek, Tomasz$$b89
001037653 7001_ $$0P:(DE-HGF)0$$aPitera, Jed$$b90
001037653 7001_ $$0P:(DE-HGF)0$$aRall, Patrick$$b91
001037653 7001_ $$0P:(DE-HGF)0$$aRavi, Gokul Subramanian$$b92
001037653 7001_ $$0P:(DE-HGF)0$$aRobertson, Niall$$b93
001037653 7001_ $$0P:(DE-HGF)0$$aRossi, Matteo A. C.$$b94
001037653 7001_ $$0P:(DE-HGF)0$$aRydlichowski, Piotr$$b95
001037653 7001_ $$0P:(DE-HGF)0$$aRyu, Hoon$$b96
001037653 7001_ $$0P:(DE-HGF)0$$aSamsonidze, Georgy$$b97
001037653 7001_ $$0P:(DE-HGF)0$$aSato, Mitsuhisa$$b98
001037653 7001_ $$0P:(DE-HGF)0$$aSaurabh, Nishant$$b99
001037653 7001_ $$0P:(DE-HGF)0$$aSharma, Vidushi$$b100
001037653 7001_ $$0P:(DE-HGF)0$$aSharma, Kunal$$b101
001037653 7001_ $$0P:(DE-HGF)0$$aShin, Soyoung$$b102
001037653 7001_ $$0P:(DE-HGF)0$$aSlessman, George$$b103
001037653 7001_ $$0P:(DE-HGF)0$$aSteiner, Mathias$$b104
001037653 7001_ $$0P:(DE-HGF)0$$aSitdikov, Iskandar$$b105
001037653 7001_ $$0P:(DE-HGF)0$$aSuh, In-Saeng$$b106
001037653 7001_ $$0P:(DE-HGF)0$$aSwitzer, Eric D.$$b107
001037653 7001_ $$0P:(DE-HGF)0$$aTang, Wei$$b108
001037653 7001_ $$0P:(DE-HGF)0$$aThompson, Joel$$b109
001037653 7001_ $$0P:(DE-HGF)0$$aTodo, Synge$$b110
001037653 7001_ $$0P:(DE-HGF)0$$aTran, Minh C.$$b111
001037653 7001_ $$0P:(DE-HGF)0$$aTrenev, Dimitar$$b112
001037653 7001_ $$0P:(DE-HGF)0$$aTrott, Christian$$b113
001037653 7001_ $$0P:(DE-HGF)0$$aTseng, Huan-Hsin$$b114
001037653 7001_ $$0P:(DE-HGF)0$$aTubman, Norm M.$$b115
001037653 7001_ $$0P:(DE-HGF)0$$aTureci, Esin$$b116
001037653 7001_ $$0P:(DE-HGF)0$$aValiñas, David García$$b117
001037653 7001_ $$0P:(DE-HGF)0$$aVallecorsa, Sofia$$b118
001037653 7001_ $$0P:(DE-HGF)0$$aWever, Christopher$$b119
001037653 7001_ $$0P:(DE-HGF)0$$aWojciechowski, Konrad$$b120
001037653 7001_ $$0P:(DE-HGF)0$$aWu, Xiaodi$$b121
001037653 7001_ $$0P:(DE-HGF)0$$aYoo, Shinjae$$b122
001037653 7001_ $$0P:(DE-HGF)0$$aYoshioka, Nobuyuki$$b123
001037653 7001_ $$0P:(DE-HGF)0$$aYu, Victor Wen-zhe$$b124
001037653 7001_ $$0P:(DE-HGF)0$$aYunoki, Seiji$$b125
001037653 7001_ $$0P:(DE-HGF)0$$aZhuk, Sergiy$$b126
001037653 7001_ $$0P:(DE-HGF)0$$aZubarev, Dmitry$$b127
001037653 773__ $$0PERI:(DE-600)2020551-X$$a10.1016/j.future.2024.04.060$$gVol. 160, p. 666 - 710$$p666 - 710$$tFuture generation computer systems$$v160$$x0167-739X$$y2024
001037653 8564_ $$uhttps://juser.fz-juelich.de/record/1037653/files/2312.09733v3.pdf$$yOpenAccess
001037653 909CO $$ooai:juser.fz-juelich.de:1037653$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
001037653 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)138295$$aForschungszentrum Jülich$$b73$$kFZJ
001037653 9131_ $$0G:(DE-HGF)POF4-511$$1G:(DE-HGF)POF4-510$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5111$$aDE-HGF$$bKey Technologies$$lEngineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action$$vEnabling Computational- & Data-Intensive Science and Engineering$$x0
001037653 9131_ $$0G:(DE-HGF)POF4-512$$1G:(DE-HGF)POF4-510$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5122$$aDE-HGF$$bKey Technologies$$lEngineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action$$vSupercomputing & Big Data Infrastructures$$x1
001037653 9141_ $$y2024
001037653 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2024-12-17
001037653 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2024-12-17
001037653 915__ $$0StatID:(DE-HGF)1160$$2StatID$$aDBCoverage$$bCurrent Contents - Engineering, Computing and Technology$$d2024-12-17
001037653 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bFUTURE GENER COMP SY : 2022$$d2024-12-17
001037653 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2024-12-17
001037653 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2024-12-17
001037653 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
001037653 915__ $$0StatID:(DE-HGF)9905$$2StatID$$aIF >= 5$$bFUTURE GENER COMP SY : 2022$$d2024-12-17
001037653 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2024-12-17
001037653 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2024-12-17
001037653 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0
001037653 9801_ $$aFullTexts
001037653 980__ $$ajournal
001037653 980__ $$aVDB
001037653 980__ $$aUNRESTRICTED
001037653 980__ $$aI:(DE-Juel1)JSC-20090406