01229nas a2200157 4500008004100000245007900041210006900120260001300189520074400202100001900946700001700965700001300982700002100995700001801016856003701034 2023 eng d00aEver more optimized simulations of fermionic systems on a quantum computer0 aEver more optimized simulations of fermionic systems on a quantu c3/6/20233 a

Despite using a novel model of computation, quantum computers break down programs into elementary gates. Among such gates, entangling gates are the most expensive. In the context of fermionic simulations, we develop a suite of compilation and optimization techniques that massively reduce the entangling-gate counts. We exploit the well-studied non-quantum optimization algorithms to achieve up to 24\% savings over the state of the art for several small-molecule simulations, with no loss of accuracy or hidden costs. Our methodologies straightforwardly generalize to wider classes of near-term simulations of the ground state of a fermionic system or real-time simulations probing dynamical properties of a fermionic system. 

1 aWang, Qingfeng1 aCian, Ze-Pei1 aLi, Ming1 aMarkov, Igor, L.1 aNam, Yunseong uhttps://arxiv.org/abs/2303.0346005435nas 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/2312.0973301894nas a2200301 4500008004100000245006400041210006300105260001400168520102800182100001601210700001701226700001801243700002101261700002201282700001601304700001701320700002201337700003001359700002201389700001901411700002101430700001801451700001801469700002301487700002101510700002401531856003701555 2021 eng d00aCross-Platform Comparison of Arbitrary Quantum Computations0 aCrossPlatform Comparison of Arbitrary Quantum Computations c7/27/20213 a

As we approach the era of quantum advantage, when quantum computers (QCs) can outperform any classical computer on particular tasks, there remains the difficult challenge of how to validate their performance. While algorithmic success can be easily verified in some instances such as number factoring or oracular algorithms, these approaches only provide pass/fail information for a single QC. On the other hand, a comparison between different QCs on the same arbitrary circuit provides a lower-bound for generic validation: a quantum computation is only as valid as the agreement between the results produced on different QCs. Such an approach is also at the heart of evaluating metrological standards such as disparate atomic clocks. In this paper, we report a cross-platform QC comparison using randomized and correlated measurements that results in a wealth of information on the QC systems. We execute several quantum circuits on widely different physical QC platforms and analyze the cross-platform fidelities.

1 aZhu, Daiwei1 aCian, Ze-Pei1 aNoel, Crystal1 aRisinger, Andrew1 aBiswas, Debopriyo1 aEgan, Laird1 aZhu, Yingyue1 aGreen, Alaina, M.1 aAlderete, Cinthia, Huerta1 aNguyen, Nhung, H.1 aWang, Qingfeng1 aMaksymov, Andrii1 aNam, Yunseong1 aCetina, Marko1 aLinke, Norbert, M.1 aHafezi, Mohammad1 aMonroe, Christopher uhttps://arxiv.org/abs/2107.1138701622nas a2200145 4500008004100000245008500041210006900126260001400195520114800209100002201357700002101379700002101400700001801421856003701439 2021 eng d00aEfficient quantum programming using EASE gates on a trapped-ion quantum computer0 aEfficient quantum programming using EASE gates on a trappedion q c7/15/20213 a

Parallel operations in conventional computing have proven to be an essential tool for efficient and practical computation, and the story is not different for quantum computing. Indeed, there exists a large body of works that study advantages of parallel implementations of quantum gates for efficient quantum circuit implementations. Here, we focus on the recently invented efficient, arbitrary, simultaneously entangling (EASE) gates, available on a trapped-ion quantum computer. Leveraging its flexibility in selecting arbitrary pairs of qubits to be coupled with any degrees of entanglement, all in parallel, we show a n-qubit Clifford circuit can be implemented using 6log(n) EASE gates, a n-qubit multiply-controlled NOT gate can be implemented using 3n/2 EASE gates, and a n-qubit permutation can be implemented using six EASE gates. We discuss their implications to near-term quantum chemistry simulations and the state of the art pattern matching algorithm. Given Clifford + multiply-controlled NOT gates form a universal gate set for quantum computing, our results imply efficient quantum computation by EASE gates, in general.

1 aGrzesiak, Nikodem1 aMaksymov, Andrii1 aNiroula, Pradeep1 aNam, Yunseong uhttps://arxiv.org/abs/2107.0759102349nas a2200313 4500008004100000245007100041210006900112260001400181520145100195100001601646700003401662700001701696700001801713700001301731700001801744700001901762700002101781700001401802700002201816700001601838700002501854700001801879700001901897700002001916700002001936700001801956700002401974856003701998 2021 eng d00aInteractive Protocols for Classically-Verifiable Quantum Advantage0 aInteractive Protocols for ClassicallyVerifiable Quantum Advantag c12/9/20213 a

Achieving quantum computational advantage requires solving a classically intractable problem on a quantum device. Natural proposals rely upon the intrinsic hardness of classically simulating quantum mechanics; however, verifying the output is itself classically intractable. On the other hand, certain quantum algorithms (e.g. prime factorization via Shor's algorithm) are efficiently verifiable, but require more resources than what is available on near-term devices. One way to bridge the gap between verifiability and implementation is to use "interactions" between a prover and a verifier. By leveraging cryptographic functions, such protocols enable the classical verifier to enforce consistency in a quantum prover's responses across multiple rounds of interaction. In this work, we demonstrate the first implementation of an interactive quantum advantage protocol, using an ion trap quantum computer. We execute two complementary protocols -- one based upon the learning with errors problem and another where the cryptographic construction implements a computational Bell test. To perform multiple rounds of interaction, we implement mid-circuit measurements on a subset of trapped ion qubits, with subsequent coherent evolution. For both protocols, the performance exceeds the asymptotic bound for classical behavior; maintaining this fidelity at scale would conclusively demonstrate verifiable quantum advantage.

1 aZhu, Daiwei1 aKahanamoku-Meyer, Gregory, D.1 aLewis, Laura1 aNoel, Crystal1 aKatz, Or1 aHarraz, Bahaa1 aWang, Qingfeng1 aRisinger, Andrew1 aFeng, Lei1 aBiswas, Debopriyo1 aEgan, Laird1 aGheorghiu, Alexandru1 aNam, Yunseong1 aVidick, Thomas1 aVazirani, Umesh1 aYao, Norman, Y.1 aCetina, Marko1 aMonroe, Christopher uhttps://arxiv.org/abs/2112.0515602193nas a2200157 4500008004100000245010400041210006900145260001400214490000600228520169000234100001901924700001301943700002401956700001801980856003701998 2021 eng d00aResource-Optimized Fermionic Local-Hamiltonian Simulation on Quantum Computer for Quantum Chemistry0 aResourceOptimized Fermionic LocalHamiltonian Simulation on Quant c7/21/20210 v53 a

The ability to simulate a fermionic system on a quantum computer is expected to revolutionize chemical engineering, materials design, nuclear physics, to name a few. Thus, optimizing the simulation circuits is of significance in harnessing the power of quantum computers. Here, we address this problem in two aspects. In the fault-tolerant regime, we optimize the $\rzgate$ and $\tgate$ gate counts along with the ancilla qubit counts required, assuming the use of a product-formula algorithm for implementation. We obtain a savings ratio of two in the gate counts and a savings ratio of eleven in the number of ancilla qubits required over the state of the art. In the pre-fault tolerant regime, we optimize the two-qubit gate counts, assuming the use of the variational quantum eigensolver (VQE) approach. Specific to the latter, we present a framework that enables bootstrapping the VQE progression towards the convergence of the ground-state energy of the fermionic system. This framework, based on perturbation theory, is capable of improving the energy estimate at each cycle of the VQE progression, by about a factor of three closer to the known ground-state energy compared to the standard VQE approach in the test-bed, classically-accessible system of the water molecule. The improved energy estimate in turn results in a commensurate level of savings of quantum resources, such as the number of qubits and quantum gates, required to be within a pre-specified tolerance from the known ground-state energy. We also explore a suite of generalized transformations of fermion to qubit operators and show that resource-requirement savings of up to more than 20% is possible.

1 aWang, Qingfeng1 aLi, Ming1 aMonroe, Christopher1 aNam, Yunseong uhttps://arxiv.org/abs/2004.0415101345nas a2200145 4500008004100000245006600041210006200107260001400169490000600183520092300189100001801112700001301130700001901143856003701162 2020 eng d00aApproximate Quantum Fourier Transform with O(nlog(n)) T gates0 aApproximate Quantum Fourier Transform with Onlogn T gates c3/13/20200 v63 a

The ability to implement the Quantum Fourier Transform (QFT) efficiently on a quantum computer enables the advantages offered by a variety of fundamental quantum algorithms, such as those for integer factoring, computing discrete logarithm over Abelian groups, and phase estimation. The standard fault-tolerant implementation of an n-qubit QFT approximates the desired transformation by removing small-angle controlled rotations and synthesizing the remaining ones into Clifford+t gates, incurring the t-count complexity of O(n log2 (n)). In this paper we show how to obtain approximate QFT with the t-count of O(n log(n)). Our approach relies on quantum circuits with measurements and feedforward, and on reusing a special quantum state that induces the phase gradient transformation. We report asymptotic analysis as well as concrete circuits, demonstrating significant advantages in both theory and practice.

1 aNam, Yunseong1 aSu, Yuan1 aMaslov, Dmitri uhttps://arxiv.org/abs/1803.0493302376nas a2200409 4500008004100000245009100041210006900132260001500201520116700216100001801383700001701401700002201418700002001440700001901460700001901479700002301498700001901521700002101540700001901561700002201580700002001602700002201622700002201644700002101666700002201687700002301709700001901732700002001751700002701771700002201798700001801820700001901838700003001857700002401887700001801911856003701929 2019 eng d00aGround-state energy estimation of the water molecule on a trapped ion quantum computer0 aGroundstate energy estimation of the water molecule on a trapped c03/07/20193 a

Quantum computing leverages the quantum resources of superposition and entanglement to efficiently solve computational problems considered intractable for classical computers. Examples include calculating molecular and nuclear structure, simulating strongly-interacting electron systems, and modeling aspects of material function. While substantial theoretical advances have been made in mapping these problems to quantum algorithms, there remains a large gap between the resource requirements for solving such problems and the capabilities of currently available quantum hardware. Bridging this gap will require a co-design approach, where the expression of algorithms is developed in conjunction with the hardware itself to optimize execution. Here, we describe a scalable co-design framework for solving chemistry problems on a trapped ion quantum computer, and apply it to compute the ground-state energy of the water molecule. The robust operation of the trapped ion quantum computer yields energy estimates with errors approaching the chemical accuracy, which is the target threshold necessary for predicting the rates of chemical reaction dynamics.

1 aNam, Yunseong1 aChen, Jwo-Sy1 aPisenti, Neal, C.1 aWright, Kenneth1 aDelaney, Conor1 aMaslov, Dmitri1 aBrown, Kenneth, R.1 aAllen, Stewart1 aAmini, Jason, M.1 aApisdorf, Joel1 aBeck, Kristin, M.1 aBlinov, Aleksey1 aChaplin, Vandiver1 aChmielewski, Mika1 aCollins, Coleman1 aDebnath, Shantanu1 aDucore, Andrew, M.1 aHudek, Kai, M.1 aKeesan, Matthew1 aKreikemeier, Sarah, M.1 aMizrahi, Jonathan1 aSolomon, Phil1 aWilliams, Mike1 aWong-Campos, Jaime, David1 aMonroe, Christopher1 aKim, Jungsang uhttps://arxiv.org/abs/1902.1017101624nas a2200193 4500008004100000245009000041210006900131260001500200520100400215100001701219700002401236700001801260700001601278700002301294700002401317700002401341700002801365856003701393 2019 eng d00aToward convergence of effective field theory simulations on digital quantum computers0 aToward convergence of effective field theory simulations on digi c04/18/20193 a

We report results for simulating an effective field theory to compute the binding energy of the deuteron nucleus using a hybrid algorithm on a trapped-ion quantum computer. Two increasingly complex unitary coupled-cluster ansaetze have been used to compute the binding energy to within a few percent for successively more complex Hamiltonians. By increasing the complexity of the Hamiltonian, allowing more terms in the effective field theory expansion and calculating their expectation values, we present a benchmark for quantum computers based on their ability to scalably calculate the effective field theory with increasing accuracy. Our result of E4=−2.220±0.179MeV may be compared with the exact Deuteron ground-state energy −2.224MeV. We also demonstrate an error mitigation technique using Richardson extrapolation on ion traps for the first time. The error mitigation circuit represents a record for deepest quantum circuit on a trapped-ion quantum computer. 

1 aShehab, Omar1 aLandsman, Kevin, A.1 aNam, Yunseong1 aZhu, Daiwei1 aLinke, Norbert, M.1 aKeesan, Matthew, J.1 aPooser, Raphael, C.1 aMonroe, Christopher, R. uhttps://arxiv.org/abs/1904.0433801295nas a2200169 4500008004100000245008000041210006900121260001500190490000600205520078500211100001800996700001901014700001301033700002301046700001901069856003701088 2018 eng d00aAutomated optimization of large quantum circuits with continuous parameters0 aAutomated optimization of large quantum circuits with continuous c2017/10/190 v43 a

We develop and implement automated methods for optimizing quantum circuits of the size and type expected in quantum computations that outperform classical computers. We show how to handle continuous gate parameters and report a collection of fast algorithms capable of optimizing large-scale quantum circuits. For the suite of benchmarks considered, we obtain substantial reductions in gate counts. In particular, we provide better optimization in significantly less time than previous approaches, while making minimal structural changes so as to preserve the basic layout of the underlying quantum algorithms. Our results help bridge the gap between the computations that can be run on existing hardware and those that are expected to outperform classical computers. 

1 aNam, Yunseong1 aRoss, Neil, J.1 aSu, Yuan1 aChilds, Andrew, M.1 aMaslov, Dmitri uhttps://arxiv.org/abs/1710.0734501648nas a2200169 4500008004100000245006100041210006100102300001400163490000900177520116300186100002301349700001901372700001801391700001901409700001301428856003701441 2018 eng d00aToward the first quantum simulation with quantum speedup0 aToward the first quantum simulation with quantum speedup a9456-94610 v115 3 a

With quantum computers of significant size now on the horizon, we should understand how to best exploit their initially limited abilities. To this end, we aim to identify a practical problem that is beyond the reach of current classical computers, but that requires the fewest resources for a quantum computer. We consider quantum simulation of spin systems, which could be applied to understand condensed matter phenomena. We synthesize explicit circuits for three leading quantum simulation algorithms, using diverse techniques to tighten error bounds and optimize circuit implementations. Quantum signal processing appears to be preferred among algorithms with rigorous performance guarantees, whereas higher-order product formulas prevail if empirical error estimates suffice. Our circuits are orders of magnitude smaller than those for the simplest classically infeasible instances of factoring and quantum chemistry, bringing practical quantum computation closer to reality.

1 aChilds, Andrew, M.1 aMaslov, Dmitri1 aNam, Yunseong1 aRoss, Neil, J.1 aSu, Yuan uhttps://arxiv.org/abs/1711.1098014878nas a2200157 45000080041000000220014000412450074000552100069001292600015001983000008002134900007002215201439400228100001814622700001614640856006414656 2017 eng d a1573-133200aOptimal length of decomposition sequences composed of imperfect gates0 aOptimal length of decomposition sequences composed of imperfect  c2017/03/24 a1230 v163 a

Quantum error correcting circuitry is both a resource for correcting errors and a source for generating errors. A balance has to be struck between these two aspects. Perfect quantum gates do not exist in nature. Therefore, it is important to investigate how flaws in the quantum hardware affect quantum computing performance. We do this in two steps. First, in the presence of realistic, faulty quantum hardware, we establish how quantum error correction circuitry achieves reduction in the extent of quantum information corruption. Then, we investigate fault-tolerant gate sequence techniques that result in an approximate phase rotation gate, and establish the existence of an optimal length Lopt of the length L of the decomposition sequence. The existence of Lopt is due to the competition between the increase in gate accuracy with increasing L, but the decrease in gate performance due to the diffusive proliferation of gate errors due to faulty basis gates. We present an analytical formula for the gate fidelity as a function of L that is in satisfactory agreement with the results of our simulations and allows the determination of Lopt via the solution of a transcendental equation. Our result is universally applicable since gate sequence approximations also play an important role, e.g., in atomic and molecular physics and in nuclear magnetic resonance.

1 aNam, Yunseong1 aBlümel, R. uhttps://link.springer.com/article/10.1007/s11128-017-1571-500962nas a2200121 4500008004100000245007400041210006900115260001500184520054100199100001900740700001800759856006300777 2017 eng d00aUse of global interactions in efficient quantum circuit constructions0 aUse of global interactions in efficient quantum circuit construc c2017/12/213 a

In this paper we study the ways to use a global entangling operator to efficiently implement circuitry common to a selection of important quantum algorithms. In particular, we focus on the circuits composed with global Ising entangling gates and arbitrary addressable single-qubit gates. We show that under certain circumstances the use of global operations can substantially improve the entangling gate count.

1 aMaslov, Dmitri1 aNam, Yunseong uhttp://iopscience.iop.org/article/10.1088/1367-2630/aaa398