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Simulating many-body systems is one of the most promising applications of near-term quantum computers. An important open question is how to efficiently prepare the ground states of arbitrary fermionic Hamiltonians, especially those with…

Strongly Correlated Electrons · Physics 2025-04-01 Gilad Kishony , Mark S. Rudner , Erez Berg

The variational quantum eigensolver is a promising way to solve the Schr\"odinger equation on a noisy intermediate-scale quantum (NISQ) computer, while its success relies on a well-designed wavefunction ansatz. Compared to physically…

Quantum Physics · Physics 2023-01-20 Xiongzhi Zeng , Yi Fan , Jie Liu , Zhenyu Li , Jinlong Yang

Simulating the real-time dynamics of lattice gauge theories, underlying the Standard Model of particle physics, is a notoriously difficult problem where quantum simulators can provide a practical advantage over classical approaches. In this…

Quantum Physics · Physics 2023-10-18 Torsten V. Zache , Daniel González-Cuadra , Peter Zoller

Quantum Computing has been evolving in the last years. Although nowadays quantum algorithms performance has shown superior to their classical counterparts, quantum decoherence and additional auxiliary qubits needed for error tolerance…

Quantum Physics · Physics 2021-05-06 O. M. Pires , E. I. Duzzioni , J. Marchi , R. Santiago

Quantum chemistry provides key applications for near-term quantum computing, but these are greatly complicated by the presence of noise. In this work we present an efficient ansatz for the computation of two-electron atoms and molecules…

Quantum Physics · Physics 2020-04-23 Scott E. Smart , David A. Mazziotti

Noisy intermediate-scale quantum (NISQ) computers could solve quantum-mechanical simulation problems that are beyond the capabilities of classical computers. However, NISQ devices experience significant errors which, if not corrected, can…

Quantum Physics · Physics 2021-02-04 Ashley Montanaro , Stasja Stanisic

Quantum computing allows for the manipulation of highly correlated states whose properties quickly go beyond the capacity of any classical method to calculate. Thus one natural problem which could lend itself to quantum advantage is the…

Quantum Physics · Physics 2024-12-19 Kevin Lively , Tim Bode , Jochen Szangolies , Jian-Xin Zhu , Benedikt Fauseweh

Variational Quantum Algorithms (VQAs) are iterative algorithms suited to implementation on current-era quantum devices. VQAs employ classical optimization to minimize cost functions evaluated on quantum circuits. However, the extent to…

Quantum Physics · Physics 2025-11-05 Bikrant Bhattacharyya , Gokul Ravi

Variational quantum algorithms on bosonic quantum processors are an emerging paradigm for quantum chemistry calculations, exploiting the natural alignment between molecular structure and harmonic oscillator-based hardware. We introduce the…

Quantum Physics · Physics 2026-04-21 Marlon F. Jost , Sijia S. Dong

Computing excited-state properties of molecules and solids is considered one of the most important near-term applications of quantum computers. While many of the current excited-state quantum algorithms differ in circuit architecture,…

Quantum Physics · Physics 2024-03-19 Carlos L. Benavides-Riveros , Yuchen Wang , Samuel Warren , David A. Mazziotti

Most literature in the Variational Quantum Eigensolver (VQE) algorithm focuses on finding the ground state of a physical system, by minimizing a quantum-computed cost-function. When excited states are required, the cost-function is usually…

Quantum Physics · Physics 2022-04-12 Kyle Sherbert , Marco Buongiorno Nardelli

Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…

Quantum Physics · Physics 2025-04-29 Dipanjali Halder , Dibyendu Mondal , Rahul Maitra

Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we explore the usefulness of non-iterative energy corrections, based on the method of…

Chemical Physics · Physics 2023-05-03 Ilias Magoulas , Francesco A. Evangelista

Quantum computing is emerging as a promising tool in nuclear physics. However, the cost of encoding fermionic operators hampers the application of algorithms in current noisy quantum devices. In this work, we analyze an encoding scheme…

In the noisy-intermediate-scale-quantum era, Variational Quantum Eigensolver (VQE) is a promising method to study ground state properties in quantum chemistry, materials science, and condensed physics. However, general quantum eigensolvers…

Quantum Physics · Physics 2023-09-27 Yusen Wu , Zigeng Huang , Jinzhao Sun , Xiao Yuan , Jingbo B. Wang , Dingshun Lv

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…

Simulating many-body fermionic systems in conventional qubit-based quantum computers poses significant challenges due to the overheads associated with the encoding of fermionic statistics in qubits, leading to the proposal of native…

Quantum Physics · Physics 2025-12-15 Ahana Ghoshal , Carlos de Gois , Kiara Hansenne , Otfried Gühne , Hai-Chau Nguyen

Variational Quantum Algorithms (VQAs) have emerged as a powerful class of algorithms that is highly suitable for noisy quantum devices. Therefore, investigating their design has become key in quantum computing research. Previous works have…

We introduce a novel computational framework for excited-states molecular quantum dynamics simulations driven by quantum computing-based electronic-structure calculations. This framework leverages the fewest-switches surface-hopping method…

Quantum Physics · Physics 2024-02-26 Anthony Gandon , Alberto Baiardi , Pauline Ollitrault , Ivano Tavernelli

We explore the first-order phase transition in the lattice Schwinger model in the presence of a topological $\theta$-term by means of the variational quantum eigensolver (VQE). Using two different fermion discretizations, Wilson and…

High Energy Physics - Lattice · Physics 2025-01-22 Takis Angelides , Pranay Naredi , Arianna Crippa , Karl Jansen , Stefan Kühn , Ivano Tavernelli , Derek S. Wang