05435nas a2201621 4500008004100000245010800041210006900149260001500218520094500233100001801178700002301196700001601219700002801235700002001263700002001283700001601303700002001319700002101339700002401360700001901384700001901403700002601422700001801448700002301466700002101489700001601510700001701526700002101543700002301564700002101587700001601608700001701624700003101641700003401672700001801706700001801724700002101742700001801763700002401781700001801805700002001823700003501843700002201878700001601900700002001916700001901936700001701955700001901972700002301991700001802014700002402032700002302056700002302079700001802102700001702120700001902137700002602156700002002182700001902202700001902221700002302240700001802263700002202281700001802303700001902321700002802340700002402368700001902392700002002411700002002431700002702451700001202478700001702490700001502507700002102522700001802543700001902561700003202580700002402612700002202636700003102658700001702689700002302706700002402729700002002753700001902773700001902792700001602811700001702827700001802844700001802862700002002880700001902900700002302919700001902942700001702961700002602978700001603004700002003020700001603040700001803056700002803074700002103102700001803123700002403141700001403165700002303179700002003202700002103222700002003243700001803263700001803281700002103299700002103320700002303341700001803364700001803382700001403400700001903414700001603433700001503449700002003464700002103484700002103505700001703526700002803543700002203571700002303593700002603616700001503642700001703657700002303674700002403697700001803721700001703739700002003756856003703776 2023 eng d00aQuantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions0 aQuantumcentric Supercomputing for Materials Science A Perspectiv c12/14/20233 a
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. 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.
1 aAlexeev, Yuri1 aAmsler, Maximilian1 aBaity, Paul1 aBarroca, Marco, Antonio1 aBassini, Sanzio1 aBattelle, Torey1 aCamps, Daan1 aCasanova, David1 aChoi, Young, jai1 aChong, Frederic, T.1 aChung, Charles1 aCodella, Chris1 aCorcoles, Antonio, D.1 aCruise, James1 aDi Meglio, Alberto1 aDubois, Jonathan1 aDuran, Ivan1 aEckl, Thomas1 aEconomou, Sophia1 aEidenbenz, Stephan1 aElmegreen, Bruce1 aFare, Clyde1 aFaro, Ismael1 aFernández, Cristina, Sanz1 aFerreira, Rodrigo, Neumann Ba1 aFuji, Keisuke1 aFuller, Bryce1 aGagliardi, Laura1 aGalli, Giulia1 aGlick, Jennifer, R.1 aGobbi, Isacco1 aGokhale, Pranav1 aGonzalez, Salvador, de la Puen1 aGreiner, Johannes1 aGropp, Bill1 aGrossi, Michele1 aGull, Emmanuel1 aHealy, Burns1 aHuang, Benchen1 aHumble, Travis, S.1 aIto, Nobuyasu1 aIzmaylov, Artur, F.1 aJavadi-Abhari, Ali1 aJennewein, Douglas1 aJha, Shantenu1 aJiang, Liang1 aJones, Barbara1 ade Jong, Wibe, Albert1 aJurcevic, Petar1 aKirby, William1 aKister, Stefan1 aKitagawa, Masahiro1 aKlassen, Joel1 aKlymko, Katherine1 aKoh, Kwangwon1 aKondo, Masaaki1 aKurkcuoglu, Doga, Murat1 aKurowski, Krzysztof1 aLaino, Teodoro1 aLandfield, Ryan1 aLeininger, Matt1 aLeyton-Ortega, Vicente1 aLi, Ang1 aLin, Meifeng1 aLiu, Junyu1 aLorente, Nicolas1 aLuckow, Andre1 aMartiel, Simon1 aMartin-Fernandez, Francisco1 aMartonosi, Margaret1 aMarvinney, Claire1 aMedina, Arcesio, Castaneda1 aMerten, Dirk1 aMezzacapo, Antonio1 aMichielsen, Kristel1 aMitra, Abhishek1 aMittal, Tushar1 aMoon, Kyungsun1 aMoore, Joel1 aMotta, Mario1 aNa, Young-Hye1 aNam, Yunseong1 aNarang, Prineha1 aOhnishi, Yu-ya1 aOttaviani, Daniele1 aOtten, Matthew1 aPakin, Scott1 aPascuzzi, Vincent, R.1 aPenault, Ed1 aPiontek, Tomasz1 aPitera, Jed1 aRall, Patrick1 aRavi, Gokul, Subramania1 aRobertson, Niall1 aRossi, Matteo1 aRydlichowski, Piotr1 aRyu, Hoon1 aSamsonidze, Georgy1 aSato, Mitsuhisa1 aSaurabh, Nishant1 aSharma, Vidushi1 aSharma, Kunal1 aShin, Soyoung1 aSlessman, George1 aSteiner, Mathias1 aSitdikov, Iskandar1 aSuh, In-Saeng1 aSwitzer, Eric1 aTang, Wei1 aThompson, Joel1 aTodo, Synge1 aTran, Minh1 aTrenev, Dimitar1 aTrott, Christian1 aTseng, Huan-Hsin1 aTureci, Esin1 aValinas, David, García1 aVallecorsa, Sofia1 aWever, Christopher1 aWojciechowski, Konrad1 aWu, Xiaodi1 aYoo, Shinjae1 aYoshioka, Nobuyuki1 aYu, Victor, Wen-zhe1 aYunoki, Seiji1 aZhuk, Sergiy1 aZubarev, Dmitry uhttps://arxiv.org/abs/2312.0973302010nas a2200409 4500008004100000245006800041210006600109260001500175520084400190100001901034700002601053700002001079700002001099700002001119700001701139700002501156700002201181700001901203700001701222700002201239700002101261700002501282700001901307700002301326700001801349700001901367700002101386700002101407700001501428700002001443700002401463700001801487700002301505700001901528700001601547856003701563 2019 eng d00aOpportunities for Nuclear Physics & Quantum Information Science0 aOpportunities for Nuclear Physics Quantum Information Science c03/13/20193 ahis whitepaper is an outcome of the workshop Intersections between Nuclear Physics and Quantum Information held at Argonne National Laboratory on 28-30 March 2018 [www.phy.anl.gov/npqi2018/]. The workshop brought together 116 national and international experts in nuclear physics and quantum information science to explore opportunities for the two fields to collaborate on topics of interest to the U.S. Department of Energy (DOE) Office of Science, Office of Nuclear Physics, and more broadly to U.S. society and industry. The workshop consisted of 22 invited and 10 contributed talks, as well as three panel discussion sessions. Topics discussed included quantum computation, quantum simulation, quantum sensing, nuclear physics detectors, nuclear many-body problem, entanglement at collider energies, and lattice gauge theories.
1 aCloët, I., C.1 aDietrich, Matthew, R.1 aArrington, John1 aBazavov, Alexei1 aBishof, Michael1 aFreese, Adam1 aGorshkov, Alexey, V.1 aGrassellino, Anna1 aHafidi, Kawtar1 aJacob, Zubin1 aMcGuigan, Michael1 aMeurice, Yannick1 aMeziani, Zein-Eddine1 aMueller, Peter1 aMuschik, Christine1 aOsborn, James1 aOtten, Matthew1 aPetreczky, Peter1 aPolakovic, Tomas1 aPoon, Alan1 aPooser, Raphael1 aRoggero, Alessandro1 aSaffman, Mark1 aVanDevender, Brent1 aZhang, Jiehang1 aZohar, Erez uhttps://arxiv.org/abs/1903.05453