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/2312.0973301598nas a2200241 4500008004100000245005800041210005800099260001500157300001100172490000800183520093100191100001301122700001401135700001801149700001601167700001801183700001801201700001301219700001601232700001401248700002201262856007201284 2017 eng d00aQuantum state tomography via reduced density matrices0 aQuantum state tomography via reduced density matrices c2017/01/09 a0204010 v1183 aQuantum state tomography via local measurements is an efficient tool for characterizing quantum states. However it requires that the original global state be uniquely determined (UD) by its local reduced density matrices (RDMs). In this work we demonstrate for the first time a class of states that are UD by their RDMs under the assumption that the global state is pure, but fail to be UD in the absence of that assumption. This discovery allows us to classify quantum states according to their UD properties, with the requirement that each class be treated distinctly in the practice of simplifying quantum state tomography. Additionally we experimentally test the feasibility and stability of performing quantum state tomography via the measurement of local RDMs for each class. These theoretical and experimental results advance the project of performing efficient and accurate quantum state tomography in practice.
1 aXin, Tao1 aLu, Dawei1 aKlassen, Joel1 aYu, Nengkun1 aJi, Zhengfeng1 aChen, Jianxin1 aMa, Xian1 aLong, Guilu1 aZeng, Bei1 aLaflamme, Raymond uhttp://journals.aps.org/prl/abstract/10.1103/PhysRevLett.118.02040102285nas a2200133 4500008004100000245005900041210005900100260001500159520189000174100001802064700001802082700001402100856003702114 2013 eng d00aUniversal Entanglers for Bosonic and Fermionic Systems0 aUniversal Entanglers for Bosonic and Fermionic Systems c2013/05/313 a A universal entangler (UE) is a unitary operation which maps all pure product states to entangled states. It is known that for a bipartite system of particles $1,2$ with a Hilbert space $\mathbb{C}^{d_1}\otimes\mathbb{C}^{d_2}$, a UE exists when $\min{(d_1,d_2)}\geq 3$ and $(d_1,d_2)\neq (3,3)$. It is also known that whenever a UE exists, almost all unitaries are UEs; however to verify whether a given unitary is a UE is very difficult since solving a quadratic system of equations is NP-hard in general. This work examines the existence and construction of UEs of bipartite bosonic/fermionic systems whose wave functions sit in the symmetric/antisymmetric subspace of $\mathbb{C}^{d}\otimes\mathbb{C}^{d}$. The development of a theory of UEs for these types of systems needs considerably different approaches from that used for UEs of distinguishable systems. This is because the general entanglement of identical particle systems cannot be discussed in the usual way due to the effect of (anti)-symmetrization which introduces "pseudo entanglement" that is inaccessible in practice. We show that, unlike the distinguishable particle case, UEs exist for bosonic/fermionic systems with Hilbert spaces which are symmetric (resp. antisymmetric) subspaces of $\mathbb{C}^{d}\otimes\mathbb{C}^{d}$ if and only if $d\geq 3$ (resp. $d\geq 8$). To prove this we employ algebraic geometry to reason about the different algebraic structures of the bosonic/fermionic systems. Additionally, due to the relatively simple coherent state form of unentangled bosonic states, we are able to give the explicit constructions of two bosonic UEs. Our investigation provides insight into the entanglement properties of systems of indisitinguishable particles, and in particular underscores the difference between the entanglement structures of bosonic, fermionic and distinguishable particle systems. 1 aKlassen, Joel1 aChen, Jianxin1 aZeng, Bei uhttp://arxiv.org/abs/1305.7489v1