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The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for computing ground state energies of molecular systems. We implement VQE to calculate the potential energy surface of the hydrogen molecule (H$_2$) across…

Quantum Physics · Physics 2026-01-16 Rylan Malarchick , Ashton Steed

Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQE in practice is that one needs to strike a balance between…

Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

Quantum Physics · Physics 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…

Quantum Physics · Physics 2026-03-31 Shota Kanasugi , Riki Toshio , Kazunori Maruyama , Hirotaka Oshima

In this paper, we implement a quantum algorithm -on IBM quantum devices, IBM QASM simulator and PPRC computer cluster -to find the energy values of the ground state and the first excited state of a particle in a finite square-well…

Quantum Physics · Physics 2021-08-18 Sina Shokri , Shahnoosh Rafibakhsh , Faezeh Pooshgan , Rita Faeghi

The inherent noise in current Noisy Intermediate-Scale Quantum (NISQ) devices presents a major obstacle to the accurate implementation of quantum algorithms such as the Variational Quantum Eigensolver (VQE) for quantum chemistry…

Quantum computing offers a potential for algorithmic speedups for applications, such as large-scale simulations in chemistry and physics. However, these speedups must yield results that are sufficiently accurate to predict realistic…

Quantum Physics · Physics 2025-01-15 Meenambika Gowrishankar , Daniel Claudino , Jerimiah Wright , Travis Humble

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…

Quantum error mitigation (QEM) is essential for the noisy intermediate-scale quantum era, and will remain relevant for early fault-tolerant quantum computers, where logical error rates are still significant. However, most QEM methods incur…

Quantum Physics · Physics 2026-03-25 Pablo Díez-Valle , Gaurav Saxena , Jack S. Baker , Jun-Ho Lee , Thi Ha Kyaw

Variational quantum eigensolver (VQE) is promising to show quantum advantage on near-term noisy-intermediate-scale quantum (NISQ) computers. One central problem of VQE is the effect of noise, especially the physical noise on realistic…

Quantum Physics · Physics 2021-09-30 Jinfeng Zeng , Zipeng Wu , Chenfeng Cao , Chao Zhang , Shiyao Hou , Pengxiang Xu , Bei Zeng

Anharmonic potential quantum system play crucial role in physics as they provide a more realistic description of oscillatory phenomena, which often deviate from the idealized harmonic model. However, simulating such system on classical…

Quantum Physics · Physics 2025-10-08 Saurav Suman , Bikash K. Behera , Vivek Vyas , Prasanta k. Panigrahi

Error mitigation is essential for unlocking the full potential of quantum algorithms and accelerating the timeline toward quantum advantage. As quantum hardware progresses to push the boundaries of classical simulation, efficient and robust…

The Variational Quantum Eigensolver (VQE) algorithm is gaining interest for its potential use in near-term quantum devices. In the VQE algorithm, parameterized quantum circuits (PQCs) are employed to prepare quantum states, which are then…

Quantum Physics · Physics 2023-12-29 Atsushi Matsuo , Yudai Suzuki , Ikko Hamamura , Shigeru Yamashita

Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite lifetime. Hybrid algorithms leveraging classical resources have demonstrated promising initial results…

Quantum error mitigation (QEM) protocols have provably exponential bounds on the cost scaling; however, exploring which regimes QEM can recover usable results is still of sizable interest. The expected absence of complete error correction…

Quantum Physics · Physics 2025-05-12 Ugnė Liaubaitė , S. E. Skelton

We present a practical workflow to compute the potential energy curve of the hydrogen molecule on near intermediate-scale quantum (NISQ) devices. The proposed approach uses an extrapolation scheme to deliver, with only few qubits, full…

Chemical Physics · Physics 2022-09-23 Ryan Ward , David M. Benoit , Francesco Benfenati

Near term quantum computers suffer from the presence of different noise sources. In order to mitigate for this effect and acquire results with significantly better accuracy, there is the urge of designing efficient error correction or error…

Current noisy intermediate-scale quantum (NISQ) trapped-ion devices are subject to errors which can significantly impact the accuracy of calculations if left unchecked. A form of error mitigation called zero noise extrapolation (ZNE) can…

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…

Quantum phase estimation (QPE) serves as a building block of many different quantum algorithms and finds important applications in computational chemistry problems. Despite the rapid development of quantum hardware, experimental…

Quantum Physics · Physics 2024-03-01 Kentaro Yamamoto , Samuel Duffield , Yuta Kikuchi , David Muñoz Ramo