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By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by…

Quantum Physics · Physics 2025-09-03 Leonardo Ratini , Chiara Capecci , Leonardo Guidoni

We introduce a scalable variational method for simulating the dynamics of interacting open quantum bosonic systems deep in the quantum regime. The method is based on a multi-dimensional Wigner phase-space representation and employs a…

Quantum Physics · Physics 2025-07-21 Jacopo Tosca , Francesco Carnazza , Luca Giacomelli , Cristiano Ciuti

We present a distributed algorithm and implementation of the variational quantum eigensolver (VQE), termed distributed VQE (DVQE). DVQE, provided as an open-source Python package, enables the execution of parameterized quantum circuits…

Quantum Physics · Physics 2025-08-29 Milad Hasanzadeh , Amin Kargarian

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There…

Quantum Physics · Physics 2023-03-22 Manpreet Singh Jattana , Fengping Jin , Hans De Raedt , Kristel Michielsen

In this work, we present the integration of Qiskit Nature's quantum chemistry solvers into the Atomic Simulation Environment (ASE), enabling hybrid quantum-classical workflows for force-driven atomistic simulations. This coupling allows the…

Quantum Physics · Physics 2026-02-04 Wilke Dononelli

This paper introduces a novel approach to implementing non-unitary linear transformations of basis on quantum computational platforms, a significant leap beyond the conventional unitary methods. By integrating Singular Value Decomposition…

Quantum Physics · Physics 2025-02-14 Guorui Zhu , Joel Bierman , Jianfeng Lu , Yingzhou Li

The theoretical analysis of the Adiabatic Quantum Computation protocol presents several challenges resulting from the difficulty of simulating, with classical resources, the unitary dynamics of a large quantum device. We present here a…

Quantum Physics · Physics 2024-03-11 Giuseppe Carleo , Bela Bauer , Matthias Troyer

Differential evolution (DE) is a population based evolutionary algorithm widely used for solving multidimensional global optimization problems over continuous spaces. However, the design of its operators makes it unsuitable for many…

Neural and Evolutionary Computing · Computer Science 2011-05-17 Ashish Ranjan Hota , Ankit Pat

Simulations of quantum dynamics are a key application of near term quantum computing, but are hindered by the twin challenges of noise and small device scale, which limit the executable circuit depths and the number of qubits the algorithm…

Quantum Physics · Physics 2025-02-07 Vladyslav Bohun , Maxence Grandadam , Maciej Koch-Janusz

Determining the exponentially scaled ground state wavefunction and the associated molecular properties remains one of the central challenges in quantum chemistry. Hybrid quantum-classical algorithms implemented on quantum computers offer a…

Quantum Physics · Physics 2026-04-22 Dibyendu Mondal , Ashish Kumar Patra , Rahul Maitra

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

We show that nonlinear problems including nonlinear partial differential equations can be efficiently solved by variational quantum computing. We achieve this by utilizing multiple copies of variational quantum states to treat…

Quantum Physics · Physics 2020-01-15 Michael Lubasch , Jaewoo Joo , Pierre Moinier , Martin Kiffner , Dieter Jaksch

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

Quantum Physics · Physics 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

This article proposes a Variational Quantum Algorithm to solve linear and nonlinear thermofluid dynamic transport equations. The hybrid classical-quantum framework is applied to problems governed by the heat, wave, and Burgers' equation in…

Quantum Physics · Physics 2025-11-06 Sergio Bengoechea , Paul Over , Dieter Jaksch , Thomas Rung

Adaptive variational quantum simulation algorithms use information from the quantum computer to dynamically create optimal trial wavefunctions for a given problem Hamiltonian. A key ingredient in these algorithms is a predefined operator…

Recently, an adaptive variational algorithm termed Adaptive Derivative-Assembled Pseudo-Trotter ansatz Variational Quantum Eigensolver (ADAPT-VQE) has been proposed by Grimsley et al. (Nat. Commun. 10, 3007) while the number of measurements…

Quantum Physics · Physics 2021-07-28 Jie Liu , Zhenyu Li , Jinlong Yang

The advection-diffusion equation is simulated on a superconducting quantum computer via several quantum algorithms. Three formulations are considered: (1) Trotterization, (2) variational quantum time evolution (VarQTE), and (3) adaptive…

Simulating physical systems on quantum devices is one of the most promising applications of quantum technology. Current quantum approaches to simulating open quantum systems are still practically challenging on NISQ-era devices, because…

Quantum Physics · Physics 2024-09-09 Joseph Peetz , Scott E. Smart , Spyros Tserkis , Prineha Narang

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

Simulating time evolution of generic quantum many-body systems using classical numerical approaches has an exponentially growing cost either with evolution time or with the system size. In this work, we present a polynomially scaling hybrid…

Quantum Physics · Physics 2023-09-18 Nikita Astrakhantsev , Sheng-Hsuan Lin , Frank Pollmann , Adam Smith