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The analysis of a chemical reaction along the ground state potential energy surface in conjunction with an unknown spin state is challenging because electronic states must be separately computed several times using different spin…

Chemical Physics · Physics 2023-03-14 Soichi Shirai , Hokuto Iwakiri , Keita Kanno , Takahiro Horiba , Keita Omiya , Hirotoshi Hirai , Sho Koh

Ensuring the safe and reliable operation of integrated electricity and gas systems (IEGS) requires dynamic energy flow (DEF) simulation tools that achieve high accuracy and computational efficiency. However, the inherent strong nonlinearity…

Systems and Control · Electrical Eng. & Systems 2025-02-28 Zhikai Huang , Shuai Lu , Wei Gu , Ruizhi Yu , Suhan Zhang , Yijun Xu , Yuan Li

Tree tensor network states (TTNSs) combined with the density matrix renormalization group (DMRG) are emerging as powerful tools for vibrational and vibronic structure simulations in molecules with strong coupling and fluxionality. In this…

Chemical Physics · Physics 2026-05-28 Henrik R. Larsson , Brieuc Le Dé , Gino E. Gamboni

A milestone in the field of quantum computing will be solving problems in quantum chemistry and materials faster than state-of-the-art classical methods. The current understanding is that achieving quantum advantage in this area will…

Quantum Physics · Physics 2023-11-08 Guoming Wang , Daniel Stilck França , Ruizhe Zhang , Shuchen Zhu , Peter D. Johnson

Quantum computing has emerged as a promising technology for solving problems that are intractable for classical computers. In this study, we introduce quantum computing and implement the Variational Quantum Eigensolver (VQE) algorithm using…

Quantum Physics · Physics 2023-05-12 Maomin Qing , Wei Xie

Suspensions with fiber-like particles in the low Reynolds number regime are modeled by two different approaches that both use a Lagrangian representation of individual particles. The first method is the well-established formulation based on…

Computational Engineering, Finance, and Science · Computer Science 2015-03-25 Dominik Bartuschat , Ellen Fischermeier , Katarina Gustavsson , Ulrich Rüde

Reliable preparation of many-body ground states is an essential task in quantum computing, with applications spanning areas from chemistry and materials modeling to quantum optimization and benchmarking. A variety of approaches have been…

Quantum Physics · Physics 2026-02-09 Ricard Puig , Berta Casas , Alba Cervera-Lierta , Zoë Holmes , Adrián Pérez-Salinas

The performance of the density matrix renormalization group (DMRG) is strongly influenced by the choice of the local basis of the underlying physical lattice. We demonstrate that, for the two-dimensional Hubbard model, the hybrid…

Strongly Correlated Electrons · Physics 2017-03-22 G. Ehlers , S. R. White , R. M. Noack

Quantum theory has been remarkably successful in providing an understanding of physical systems at foundational scales. Solving the Schr\"odinger equation provides full knowledge of all dynamical quantities of the physical system. However…

Quantum Physics · Physics 2020-11-24 Cesar Lema , Anna Choromanska

We formulate two estimation problems for pipeline systems in which measurements of compressible gas flow through a network of pipes is affected by time-varying injections, withdrawals, and compression. We consider a state estimation problem…

Systems and Control · Computer Science 2018-07-30 Kaarthik Sundar , Anatoly Zlotnik

We adapt the robust phase estimation algorithm to the evaluation of energy differences between two eigenstates using a quantum computer. This approach does not require controlled unitaries between auxiliary and system registers or even a…

Quantum Physics · Physics 2021-06-02 A. E. Russo , K. M. Rudinger , B. C. A. Morrison , A. D. Baczewski

While numerical simulations are presented in most papers introducing new methods to enhance the VQE performance, comprehensive, comparative, and applied studies remain relatively rare. We present a comprehensive, yet concise guide for the…

A key goal of digital quantum computing is the simulation of fermionic systems such as molecules or the Hubbard model. Unfortunately, for present and near-future quantum computers the use of quantum error correction schemes is still out of…

Quantum Physics · Physics 2019-07-31 Jan-Michael Reiner , Frank Wilhelm-Mauch , Gerd Schön , Michael Marthaler

A major thrust in quantum algorithm development over the past decade has been the search for the quantum algorithms that will deliver practical quantum advantage first. Today's quantum computers - and even early fault-tolerant quantum…

Quantum Physics · Physics 2025-01-22 Guoming Wang , Daniel Stilck França , Gumaro Rendon , Peter D. Johnson

The ground state susceptibility of a system consisting of three flux-qubits was measured in the complete three dimensional flux space around the common degeneracy point of the qubits. The system's Hamiltonian could be completely…

Superconductivity · Physics 2007-05-23 A. Izmalkov , M. Grajcar , S. H. W. van der Ploeg , U. Huebner , E. Il'ichev , H. -G. Meyer , A. M. Zagoskin

A simple, physically motivated, scaling hypothesis, which becomes exact in important limits, yields estimates for the ground-state energy of large, composed, systems in terms of the ground-state energy of its building blocks. The concept is…

Strongly Correlated Electrons · Physics 2009-11-11 K. Capelle , L. N. Oliveira

Numerical modeling and simulation have become indispensable tools for advancing a comprehensive understanding of the underlying mechanisms and cost-effective process optimization and control of flow batteries. In this study, we propose an…

Chemical Physics · Physics 2022-03-07 QiZhi He , Yucheng Fu , Panos Stinis , Alexandre Tartakovsky

We introduce Deep Variational Bayes Filters (DVBF), a new method for unsupervised learning and identification of latent Markovian state space models. Leveraging recent advances in Stochastic Gradient Variational Bayes, DVBF can overcome…

Machine Learning · Statistics 2017-03-06 Maximilian Karl , Maximilian Soelch , Justin Bayer , Patrick van der Smagt

Variational quantum algorithms are emerging as promising candidates for near-term practical applications of quantum information processors, in the field of quantum chemistry. We implement the variational quantum eigensolver algorithm to…

Quantum Physics · Physics 2024-07-02 Dileep Singh , Shashank Mehendale , Arvind , Kavita Dorai

Developing methods to solve nuclear many-body problems with quantum computers is an imperative pursuit within the nuclear physics community. Here, we introduce a quantum algorithm to accurately and precisely compute the ground state of…

Nuclear Theory · Physics 2024-06-11 Sota Yoshida , Takeshi Sato , Takumi Ogata , Tomoya Naito , Masaaki Kimura