@article {3397, title = {Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions}, year = {2023}, month = {12/14/2023}, abstract = {
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.
}, url = {https://arxiv.org/abs/2312.09733}, author = {Yuri Alexeev and Maximilian Amsler and Paul Baity and Marco Antonio Barroca and Sanzio Bassini and Torey Battelle and Daan Camps and David Casanova and Young jai Choi and Frederic T. Chong and Charles Chung and Chris Codella and Antonio D. Corcoles and James Cruise and Alberto Di Meglio and Jonathan Dubois and Ivan Duran and Thomas Eckl and Sophia Economou and Stephan Eidenbenz and Bruce Elmegreen and Clyde Fare and Ismael Faro and Cristina Sanz Fern{\'a}ndez and Rodrigo Neumann Barros Ferreira and Keisuke Fuji and Bryce Fuller and Laura Gagliardi and Giulia Galli and Jennifer R. Glick and Isacco Gobbi and Pranav Gokhale and Salvador de la Puente Gonzalez and Johannes Greiner and Bill Gropp and Michele Grossi and Emmanuel Gull and Burns Healy and Benchen Huang and Travis S. Humble and Nobuyasu Ito and Artur F. Izmaylov and Ali Javadi-Abhari and Douglas Jennewein and Shantenu Jha and Liang Jiang and Barbara Jones and Wibe Albert de Jong and Petar Jurcevic and William Kirby and Stefan Kister and Masahiro Kitagawa and Joel Klassen and Katherine Klymko and Kwangwon Koh and Masaaki Kondo and Doga Murat Kurkcuoglu and Krzysztof Kurowski and Teodoro Laino and Ryan Landfield and Matt Leininger and Vicente Leyton-Ortega and Ang Li and Meifeng Lin and Junyu Liu and Nicolas Lorente and Andre Luckow and Simon Martiel and Francisco Martin-Fernandez and Margaret Martonosi and Claire Marvinney and Arcesio Castaneda Medina and Dirk Merten and Antonio Mezzacapo and Kristel Michielsen and Abhishek Mitra and Tushar Mittal and Kyungsun Moon and Joel Moore and Mario Motta and Young-Hye Na and Yunseong Nam and Prineha Narang and Yu-ya Ohnishi and Daniele Ottaviani and Matthew Otten and Scott Pakin and Vincent R. Pascuzzi and Ed Penault and Tomasz Piontek and Jed Pitera and Patrick Rall and Gokul Subramanian Ravi and Niall Robertson and Matteo Rossi and Piotr Rydlichowski and Hoon Ryu and Georgy Samsonidze and Mitsuhisa Sato and Nishant Saurabh and Vidushi Sharma and Kunal Sharma and Soyoung Shin and George Slessman and Mathias Steiner and Iskandar Sitdikov and In-Saeng Suh and Eric Switzer and Wei Tang and Joel Thompson and Synge Todo and Minh Tran and Dimitar Trenev and Christian Trott and Huan-Hsin Tseng and Esin Tureci and David Garc{\'\i}a Valinas and Sofia Vallecorsa and Christopher Wever and Konrad Wojciechowski and Xiaodi Wu and Shinjae Yoo and Nobuyuki Yoshioka and Victor Wen-zhe Yu and Seiji Yunoki and Sergiy Zhuk and Dmitry Zubarev} } @article {1787, title = {Quantum state tomography via reduced density matrices}, journal = {Physical Review Letters}, volume = {118}, year = {2017}, month = {2017/01/09}, pages = {020401}, abstract = {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.
}, doi = {10.1103/PhysRevLett.118.020401}, url = {http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.118.020401}, author = {Tao Xin and Dawei Lu and Joel Klassen and Nengkun Yu and Zhengfeng Ji and Jianxin Chen and Xian Ma and Guilu Long and Bei Zeng and Raymond Laflamme} } @article {1444, title = {Universal Entanglers for Bosonic and Fermionic Systems}, year = {2013}, month = {2013/05/31}, abstract = { 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. }, url = {http://arxiv.org/abs/1305.7489v1}, author = {Joel Klassen and Jianxin Chen and Bei Zeng} }