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In this study, we utilized the quantum flow (QFlow) method to perform quantum simulations of correlated systems. The QFlow approach allows for sampling large sub-spaces of the Hilbert space by solving coupled variational problems in reduced…

Quantum Physics · Physics 2024-10-17 Karol Kowalski , Nicholas P. Bauman

Hybrid quantum-classical algorithms have been proposed as a potentially viable application of quantum computers. A particular example - the variational quantum eigensolver, or VQE - is designed to determine a global minimum in an energy…

Quantum Physics · Physics 2020-08-05 Alexey Uvarov , Jacob Biamonte , Dmitry Yudin

A pivotal task for quantum computing is to speed up solving problems that are both classically intractable and practically valuable. Among these, combinatorial optimization problems have attracted tremendous attention due to their broad…

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

Applications of quantum simulation algorithms to obtain electronic energies of molecules on noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources describing the complex electron correlation effects. In…

Quantum Physics · Physics 2020-04-17 Mekena Metcalf , Nicholas P. Bauman , Karol Kowalski , Wibe A. de Jong

The number of measurements demanded by hybrid quantum-classical algorithms such as the variational quantum eigensolver (VQE) is prohibitively high for many problems of practical value. For such problems, realizing quantum advantage will…

Quantum Physics · Physics 2021-03-24 Guoming Wang , Dax Enshan Koh , Peter D. Johnson , Yudong Cao

Quantum computing has attracted significant interest in the optimization community because it potentially can solve classes of optimization problems faster than conventional supercomputers. Several researchers proposed quantum computing…

Quantum Physics · Physics 2023-02-14 Mohammadhossein Mohammadisiahroudi , Ramin Fakhimi , Tamás Terlaky

Compact representations of fermionic Hamiltonians are necessary to perform calculations on quantum computers that lack error-correction. A fermionic system is typically defined within a subspace of fixed particle number and spin while…

Quantum Physics · Physics 2022-05-25 Diana Chamaki , Mekena Metcalf , Wibe A. de Jong

Adaptive protocols enable the construction of more efficient state preparation circuits in variational quantum algorithms (VQAs) by utilizing data obtained from the quantum processor during the execution of the algorithm. This idea…

Quantum-circuit optimization is essential for any practical realization of quantum computation, in order to beat decoherence. We present a scheme for implementing the final stage in the compilation of quantum circuits, i.e., for finding the…

Quantum Physics · Physics 2007-05-23 Juha J. Vartiainen , Antti O. Niskanen , Mikio Nakahara , Martti M. Salomaa

Quantum chemistry and materials is one of the most promising applications of quantum computing. Yet much work is still to be done in matching industry-relevant problems in these areas with quantum algorithms that can solve them. Most…

We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…

Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…

Quantum circuit simulations are critical for evaluating quantum algorithms and machines. However, the number of state amplitudes required for full simulation increases exponentially with the number of qubits. In this study, we leverage data…

Performing experiments on small-scale quantum computers is certainly a challenging endeavor. Many parameters need to be optimized to achieve high-fidelity operations. This can be done efficiently for operations acting on single qubits as…

Quantum Physics · Physics 2016-08-31 M. Müller , A. Rivas , E. A. Martínez , D. Nigg , P. Schindler , T. Monz , R. Blatt , M. A. Martin-Delgado

Quantum mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…

A novel simulation strategy is proposed to search for semiconductor quantum devices which are optimized with respect to required performances. Based on evolutionary programming, a tecnique implementing the paradigm of genetic algorithms to…

Materials Science · Physics 2009-10-31 Guido Goldoni , Fausto Rossi

Quantum simulation, fundamental in quantum algorithm design, extends far beyond its foundational roots, powering diverse quantum computing applications. However, optimizing the compilation of quantum Hamiltonian simulation poses significant…

Quantum Physics · Physics 2024-08-08 Xiuqi Cao , Junyu Zhou , Yuhao Liu , Yunong Shi , Gushu Li

Simulating molecular systems on quantum computers requires efficient mappings from Fermionic operators to qubit operators. Traditional mappings such as Jordan-Wigner or Bravyi-Kitaev often produce high-weight Pauli terms, increasing circuit…

Quantum Physics · Physics 2025-11-13 James Brown , Tarini S Hardikar , Kenny Heitritter , Kanav Setia

Quantum chemistry and materials science are among the most promising areas for demonstrating algorithmic quantum advantage and quantum utility due to their inherent quantum mechanical nature. Still, large-scale simulations of quantum…