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Quantum computing presents a promising path toward precise quantum chemical simulations, particularly for systems that challenge classical methods. This work investigates the performance of the Variational Quantum Eigensolver (VQE) in…

Quantum Physics · Physics 2025-10-28 Zakaria Boutakka , Nouhaila Innan , Muhammed Shafique , Mohamed Bennai , Z. Sakhi

Nitrogen-vacancy centers in diamond are ideal platforms for quantum simulation, which allows one to handle problems that are intractable theoretically or experimentally. Here we propose a digital quantum simulation scheme to simulate the…

Quantum Physics · Physics 2015-06-17 Chenyong Ju , Chao Lei , Xiangkun Xu , Dimitrie Culcer , Zhenyu Zhang , Jiangfeng Du

Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…

Chemical Physics · Physics 2024-05-06 Max Rossmannek , Fabijan Pavošević , Angel Rubio , Ivano Tavernelli

Digital quantum computers provide a computational framework for solving the Schr\"{o}dinger equation for a variety of many-particle systems. Quantum computing algorithms for the quantum simulation of these systems have recently witnessed…

Quantum Physics · Physics 2022-03-21 Mario Motta , Julia Rice

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…

Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible to simulate with a classical computer, the time and memory requirements generally scale exponentially with the system size. Conversely, quantum…

Quantum Physics · Physics 2019-09-17 Sam McArdle , Tyson Jones , Suguru Endo , Ying Li , Simon Benjamin , Xiao Yuan

There has been rapidly growing interest in hybrid quantum devices involving a solid-state spin and a macroscopic mechanical oscillator. Such hybrid devices create exciting opportunities to mediate interactions between disparate qubits and…

Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers,…

Quantum Physics · Physics 2023-01-03 Frank T. Cerasoli , Kyle Sherbert , Jagoda Sławińska , Marco Buongiorno Nardelli

In this work we present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the potential energy curve for molecular nitrogen, where a…

Quantum Physics · Physics 2025-02-13 Tim Weaving , Alexis Ralli , Peter J. Love , Sauro Succi , Peter V. Coveney

Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulations employing minimal basis sets require fewer qubits and…

Quantum Physics · Physics 2022-08-17 Stefano Barison , Davide Emilio Galli , Mario Motta

Hands-on experimental experience with quantum systems in the undergraduate physics curriculum provides students with a deeper understanding of quantum physics and equips them for the fast-growing quantum science industry. Here we present an…

We propose a quantum algorithm for solving the following problem: given the Hamiltonian of a physical system and one of its eigenvalues, how to obtain the corresponding eigenstate? The algorithm is based on the resonance phenomena. For a…

Quantum Physics · Physics 2016-06-01 Hefeng Wang

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

The accurate computation of ground and excited states of many-fermion quantum systems is one of the most consequential, contemporary challenges in the physical and computational sciences whose solution stands to benefit significantly from…

Quantum Physics · Physics 2021-02-24 S. E. Smart , D. A. Mazziotti

Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to their volume-law entanglement content. In this work, we explore…

Quantum Physics · Physics 2022-02-17 Feng Zhang , Niladri Gomes , Yongxin Yao , Peter P. Orth , Thomas Iadecola

We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…

Quantum Physics · Physics 2023-03-03 Kaur Kristjuhan , Mark Nicholas Jones

Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…

We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…

We study Bosonic representation of spin Ising model with the application of simulating two level systems using continuous variable quantum processors. We decompose the time evolution of spin systems into a sequence of continuous variable…

Quantum Physics · Physics 2020-09-29 Razieh Annabestani , Brajesh Gupt , Bhaskar Roy Bardhan

Experimental realization of a universal set of quantum logic gates with high-fidelity is critical to quantum information processing, which is always challenging by inevitable interaction between the quantum system and environment. Geometric…