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Quantum simulation of fermionic systems is a promising application of quantum computers, but in order to program them, we need to map fermionic states and operators to qubit states and quantum gates. While quantum processors may be built as…

Quantum Physics · Physics 2019-08-05 Mark Steudtner , Stephanie Wehner

Mapping out phase diagrams of quantum systems using classical simulations can be challenging or intractable due to the computational resources required to simulate even small quantum systems far away from the thermodynamic limit. We…

Quantum Physics · Physics 2024-06-05 Jan Lukas Bosse , Raul Santos , Ashley Montanaro

The utility of effective model spaces in quantum simulations of non-relativistic quantum many-body systems is explored in the context of the Lipkin-Meshkov-Glick model of interacting fermions. We introduce an iterative…

Quantum Physics · Physics 2023-08-25 Caroline E. P. Robin , Martin J. Savage

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

The variational quantum eigensolver (VQE) is a hybrid quantum-classical variational algorithm that produces an upper-bound estimate of the ground-state energy of a Hamiltonian. As quantum computers become more powerful and go beyond the…

Quantum computers are expected to be highly beneficial for chemistry simulations, promising significant improvements in accuracy and speed. The most prominent algorithm for chemistry simulations on NISQ devices is the Variational Quantum…

Quantum Physics · Physics 2022-09-27 Marita Oliv , Andrea Matic , Thomas Messerer , Jeanette Miriam Lorenz

Achieving quantum speedups in practical tasks remains challenging for current noisy intermediate-scale quantum (NISQ) devices. These devices always encounter significant obstacles such as inevitable physical errors and the limited…

Quantum Physics · Physics 2024-08-28 Riki Toshio , Yutaro Akahoshi , Jun Fujisaki , Hirotaka Oshima , Shintaro Sato , Keisuke Fujii

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…

Molecular simulations with the variational quantum eigensolver (VQE) are a promising application for emerging noisy intermediate-scale quantum computers. Constructing accurate molecular ans\"atze that are easy to optimize and implemented by…

In the age of noisy quantum processors, the exploitation of quantum symmetries can be quite beneficial in the efficient preparation of trial states, an important part of the variational quantum eigensolver algorithm. The benefits include…

Quantum Physics · Physics 2023-08-21 Babatunde M. Ayeni

Fault-tolerant quantum computation enables reliable quantum computation but incurs a significant overhead from both time and resource perspectives. To reduce computation time, Austin G. Fowler proposed time-optimal quantum computation by…

Quantum Physics · Physics 2024-05-02 Taewan Kim , Kyunghyun Baek , Yongsoo Hwang , Jeongho Bang

Simulation of fermionic Hamiltonians with gate-based quantum computers requires the selection of an encoding from fermionic operators to quantum gates, the most widely used being the Jordan-Wigner transform. Many alternative encodings…

Quantum Physics · Physics 2026-05-01 Michael Williams de la Bastida , Thomas M. Bickley , Peter V. Coveney

Fermionic atoms in optical lattices provide a native implementation of Fermi-Hubbard (FH) models that can be used as analog quantum simulators of many-body fermionic systems. Recent experimental advances include the time-dependent local…

The exact evaluation of the molecular ground state in quantum chemistry requires an exponentially increasing computational cost. Quantum computation is a promising way to overcome the exponential problem using polynomial-time quantum…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jiaqi Hu , Wengang Zhang , Xusheng Xu , Dechin Chen , Fan Yu , Jun Li , Hanshi Hu , Dingshun Lv , Man-Hong Yung

Protein folding processes are a vital aspect of molecular biology that is hard to simulate with conventional computers. Quantum algorithms have been proven superior for certain problems and may help tackle this complex life science…

Quantum Physics · Physics 2024-09-11 Hanna Linn , Isak Brundin , Laura García-Álvarez , Göran Johansson

The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical…

Quantum computers have the potential to efficiently simulate large-scale quantum systems for which classical approaches are bound to fail. Even though several existing quantum devices now feature total qubit numbers of more than one…

Quantum Physics · Physics 2023-03-29 Hongye Yu , Yusheng Zhao , Tzu-Chieh Wei

Quantum computers have long been anticipated to excel in simulating quantum many-body physics. While most previous work has focused on Hermitian physics, we demonstrate the power of variational quantum circuits for resource-efficient…

Quantum Physics · Physics 2025-04-15 Yuxuan Zhang , Juan Carrasquilla , Yong Baek Kim

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

We use the Variational Quantum Eigensolver (VQE) as implemented in the Qiskit software package to compute the ground state energy of small molecules derived from water, H$_2$O, and hydrogen cyanide, HCN. The work aims to benchmark…

Quantum Physics · Physics 2021-07-07 P. Lolur , M. Rahm , M. Skogh , L. García-Álvarez , G. Wendin