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

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.

%8 12/14/2023 %G eng %U https://arxiv.org/abs/2312.09733 %0 Journal Article %J Physical Review Letters %D 2017 %T Quantum state tomography via reduced density matrices %A Tao Xin %A Dawei Lu %A Joel Klassen %A Nengkun Yu %A Zhengfeng Ji %A Jianxin Chen %A Xian Ma %A Guilu Long %A Bei Zeng %A Raymond Laflamme %X

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.

%B Physical Review Letters %V 118 %P 020401 %8 2017/01/09 %G eng %U http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.118.020401 %R 10.1103/PhysRevLett.118.020401 %0 Journal Article %D 2013 %T Universal Entanglers for Bosonic and Fermionic Systems %A Joel Klassen %A Jianxin Chen %A Bei Zeng %X 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. %8 2013/05/31 %G eng %U http://arxiv.org/abs/1305.7489v1