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Quantum computers have the potential for an exponential speedup of classical molecular computations. However, existing algorithms have limitations; quantum phase estimation (QPE) algorithms are intractable on current hardware while…

Quantum Physics · Physics 2023-03-03 Scott E. Smart , David A. Mazziotti

To enhance the variational quantum eigensolver (VQE), the CAFQA method can utilize classical computational capabilities to identify a better initial state than the Hartree-Fock method. Previous research has demonstrated that the initial…

Direct air capture of Carbon Dioxide is a technical solution that does not rely on natural processes to capture CO2 from the atmosphere. In DAC, the filter material is designed to specifically bind CO2 molecules. Hence a high-capacity…

Quantum Physics · Physics 2023-11-22 Gopal Ramesh Dahale

Electron-molecule collisions play a central role in both natural processes and modern technological applications, particularly in plasma processing. Conventional computational strategies such as the R-matrix method have been widely adopted…

Quantum Physics · Physics 2026-05-13 Dario Picozzi , Jonathan Tennyson , Vincent Graves , Jimena D. Gorfinkiel

The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics. It is for this reason that a universal quantum computer has the potential to fundamentally change…

Quantum enhanced optimization of classical cost functions is a central theme of quantum computing due to its high potential value in science and technology. The variational quantum eigensolver (VQE) and the quantum approximate optimization…

Quantum Physics · Physics 2024-11-27 Giuseppe Scriva , Nikita Astrakhantsev , Sebastiano Pilati , Guglielmo Mazzola

Combinatorial optimization models a vast range of industrial processes aiming at improving their efficiency. In general, solving this type of problem exactly is computationally intractable. Therefore, practitioners rely on heuristic…

Quantum Physics · Physics 2022-02-14 David Amaro , Matthias Rosenkranz , Nathan Fitzpatrick , Koji Hirano , Mattia Fiorentini

Recent developments in quantum hardware indicate that systems featuring more than 50 physical qubits are within reach. At this scale, classical simulation will no longer be feasible and there is a possibility that such quantum devices may…

Quantum Physics · Physics 2018-03-06 Mathias Soeken , Thomas Häner , Martin Roetteler

Modern Cloud/Edge architectures need to orchestrate multiple layers of heterogeneous computing nodes, including pervasive sensors/actuators, distributed Edge/Fog nodes, centralized data centers and quantum devices. The optimal assignment…

Quantum Physics · Physics 2024-05-27 Carlo Mastroianni , Francesco Plastina , Jacopo Settino , Andrea Vinci

The Variational Quantum Eigensolver (VQE) algorithm has been developed to target near term Noisy Intermediate Scale Quantum (NISQ) computers as a method to find the eigenvalues of Hamiltonians. Unlike fully quantum algorithms such as…

Quantum Physics · Physics 2026-02-13 Taylor Harville , Rishu Khurana , Vitor F. Grizzi , Cong Liu

Variational Quantum Algorithms (VQAs) are a promising approach to leverage Noisy Intermediate-Scale Quantum (NISQ) computers. However, choosing optimal quantum circuits that efficiently solve a given VQA problem is a non-trivial task.…

Quantum Physics · Physics 2025-10-07 Swagat Kumar , Jan-Nico Zaech , Colin Michael Wilmott , Luc Van Gool

Achieving fault-tolerant quantum computation (FTQC) demands simultaneous progress in physical qubit performance and quantum error correction (QEC). This work reviews and benchmarks experimental advancements towards FTQC across leading…

Quantum Physics · Physics 2025-07-08 François-Marie Le Régent

Quasiparticle band structures are fundamental for understanding strongly correlated electron systems. While solving these structures accurately on classical computers is challenging, quantum computing offers a promising alternative.…

Quantum Physics · Physics 2025-11-10 Takahiro Ohgoe , Hokuto Iwakiri , Kazuhide Ichikawa , Sho Koh , Masaya Kohda

Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…

Quantum Physics · Physics 2019-07-16 Harper R. Grimsley , Sophia E. Economou , Edwin Barnes , Nicholas J. Mayhall

In recent years, Variational Quantum Algorithms (VQAs) have emerged as a promising approach for solving optimization problems on quantum computers in the NISQ era. However, one limitation of VQAs is their reliance on fixed-structure…

Quantum Physics · Physics 2026-03-03 Gloria Turati , Maurizio Ferrari Dacrema , Paolo Cremonesi

Quantum optimization allows for up to exponential quantum speedups for specific, possibly industrially relevant problems. As the key algorithm in this field, we motivate and discuss the Quantum Approximate Optimization Algorithm (QAOA),…

Quantum Physics · Physics 2025-11-18 Jonas Stein , Maximilian Zorn , Leo Sünkel , Thomas Gabor

Quantum computing has demonstrated the potential to revolutionize our understanding of nuclear, atomic, and molecular structure by obtaining forefront solutions in non-relativistic quantum many-body theory. In this work, we show that…

Quantum Physics · Physics 2023-01-05 Wenyang Qian , Robert Basili , Soham Pal , Glenn Luecke , James P. Vary

Quantum computers can solve certain problems more efficiently than any possible conventional computer. Small quantum algorithms have been demonstrated on multiple quantum computing platforms, many specifically tailored in hardware to…

Quantum Physics · Physics 2016-08-05 S. Debnath , N. M. Linke , C. Figgatt , K. A. Landsman , K. Wright , C. Monroe

For quantum computing (QC) to emerge as a practically indispensable computational tool, there is a need for quantum protocols with an end-to-end practical applications -- in this instance, fluid dynamics. We debut here a high performance…

Quantum Physics · Physics 2023-12-05 Sachin S. Bharadwaj , Katepalli R. Sreenivasan

We present a quantum computing formulation to address a challenging problem in the development of probabilistic learning on manifolds (PLoM). It involves solving the spectral problem of the high-dimensional Fokker-Planck (FKP) operator,…

Quantum Physics · Physics 2025-02-21 Christian Soize , Loïc Joubert-Doriol , Artur F. Izmaylov
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