TY - JOUR T1 - Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions Y1 - 2023 A1 - Yuri Alexeev A1 - Maximilian Amsler A1 - Paul Baity A1 - Marco Antonio Barroca A1 - Sanzio Bassini A1 - Torey Battelle A1 - Daan Camps A1 - David Casanova A1 - Young jai Choi A1 - Frederic T. Chong A1 - Charles Chung A1 - Chris Codella A1 - Antonio D. Corcoles A1 - James Cruise A1 - Alberto Di Meglio A1 - Jonathan Dubois A1 - Ivan Duran A1 - Thomas Eckl A1 - Sophia Economou A1 - Stephan Eidenbenz A1 - Bruce Elmegreen A1 - Clyde Fare A1 - Ismael Faro A1 - Cristina Sanz Fernández A1 - Rodrigo Neumann Barros Ferreira A1 - Keisuke Fuji A1 - Bryce Fuller A1 - Laura Gagliardi A1 - Giulia Galli A1 - Jennifer R. Glick A1 - Isacco Gobbi A1 - Pranav Gokhale A1 - Salvador de la Puente Gonzalez A1 - Johannes Greiner A1 - Bill Gropp A1 - Michele Grossi A1 - Emmanuel Gull A1 - Burns Healy A1 - Benchen Huang A1 - Travis S. Humble A1 - Nobuyasu Ito A1 - Artur F. Izmaylov A1 - Ali Javadi-Abhari A1 - Douglas Jennewein A1 - Shantenu Jha A1 - Liang Jiang A1 - Barbara Jones A1 - Wibe Albert de Jong A1 - Petar Jurcevic A1 - William Kirby A1 - Stefan Kister A1 - Masahiro Kitagawa A1 - Joel Klassen A1 - Katherine Klymko A1 - Kwangwon Koh A1 - Masaaki Kondo A1 - Doga Murat Kurkcuoglu A1 - Krzysztof Kurowski A1 - Teodoro Laino A1 - Ryan Landfield A1 - Matt Leininger A1 - Vicente Leyton-Ortega A1 - Ang Li A1 - Meifeng Lin A1 - Junyu Liu A1 - Nicolas Lorente A1 - Andre Luckow A1 - Simon Martiel A1 - Francisco Martin-Fernandez A1 - Margaret Martonosi A1 - Claire Marvinney A1 - Arcesio Castaneda Medina A1 - Dirk Merten A1 - Antonio Mezzacapo A1 - Kristel Michielsen A1 - Abhishek Mitra A1 - Tushar Mittal A1 - Kyungsun Moon A1 - Joel Moore A1 - Mario Motta A1 - Young-Hye Na A1 - Yunseong Nam A1 - Prineha Narang A1 - Yu-ya Ohnishi A1 - Daniele Ottaviani A1 - Matthew Otten A1 - Scott Pakin A1 - Vincent R. Pascuzzi A1 - Ed Penault A1 - Tomasz Piontek A1 - Jed Pitera A1 - Patrick Rall A1 - Gokul Subramanian Ravi A1 - Niall Robertson A1 - Matteo Rossi A1 - Piotr Rydlichowski A1 - Hoon Ryu A1 - Georgy Samsonidze A1 - Mitsuhisa Sato A1 - Nishant Saurabh A1 - Vidushi Sharma A1 - Kunal Sharma A1 - Soyoung Shin A1 - George Slessman A1 - Mathias Steiner A1 - Iskandar Sitdikov A1 - In-Saeng Suh A1 - Eric Switzer A1 - Wei Tang A1 - Joel Thompson A1 - Synge Todo A1 - Minh Tran A1 - Dimitar Trenev A1 - Christian Trott A1 - Huan-Hsin Tseng A1 - Esin Tureci A1 - David García Valinas A1 - Sofia Vallecorsa A1 - Christopher Wever A1 - Konrad Wojciechowski A1 - Xiaodi Wu A1 - Shinjae Yoo A1 - Nobuyuki Yoshioka A1 - Victor Wen-zhe Yu A1 - Seiji Yunoki A1 - Sergiy Zhuk A1 - Dmitry Zubarev AB -

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.

UR - https://arxiv.org/abs/2312.09733 ER - TY - JOUR T1 - Quantum state tomography via reduced density matrices JF - Physical Review Letters Y1 - 2017 A1 - Tao Xin A1 - Dawei Lu A1 - Joel Klassen A1 - Nengkun Yu A1 - Zhengfeng Ji A1 - Jianxin Chen A1 - Xian Ma A1 - Guilu Long A1 - Bei Zeng A1 - Raymond Laflamme AB -

Quantum 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.

VL - 118 U4 - 020401 UR - http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.118.020401 U5 - 10.1103/PhysRevLett.118.020401 ER - TY - JOUR T1 - Universal Entanglers for Bosonic and Fermionic Systems Y1 - 2013 A1 - Joel Klassen A1 - Jianxin Chen A1 - Bei Zeng AB - 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. UR - http://arxiv.org/abs/1305.7489v1 ER -