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Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…

Quantum Physics · Physics 2019-07-16 Harper R. Grimsley , Sophia E. Economou , Edwin Barnes , Nicholas J. Mayhall

Optimizing open quantum system evolution is an important step on the way to achieving quantum computing and quantum thermodynamic tasks. In this article, we approach optimisation via variational principles and derive an open quantum system…

Quantum Physics · Physics 2018-10-17 Nishchay Suri , Felix C. Binder , Bhaskaran Muralidharan , Sai Vinjanampathy

We introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The effectiveness of our approach is shown by obtaining…

Quantum computing has brought a paradigm change in computer science, where non-classical technologies have promised to outperform their classical counterpart. Such an advantage was only demonstrated for tasks without practical applications,…

A novel class of hybrid quantum-classical algorithms based on the variational approach have recently emerged from separate proposals addressing, for example, quantum chemistry and combinatorial problems. These algorithms provide an…

Quantum Physics · Physics 2017-01-09 Gian Giacomo Guerreschi , Mikhail Smelyanskiy

The quantum critical regime marks a zone in the phase diagram where quantum fluctuation around the critical point plays a significant role at finite temperatures. While it is of great physical interest, simulation of the quantum critical…

Quantum Physics · Physics 2023-08-09 Zhi-Quan Shi , Xu-Dan Xie , Dan-Bo Zhang

Universal fault-tolerant quantum computers will require error-free execution of long sequences of quantum gate operations, which is expected to involve millions of physical qubits. Before the full power of such machines will be available,…

The variational principle serves as a fundamental framework for describing equilibrium states of physical systems via the minimization or extremization of an energy-like functional. While quantum algorithms have demonstrated promising…

Quantum Physics · Physics 2025-08-26 Katsuhiro Endo , Kazuaki Z. Takahashi

In the last years, several quantum algorithms that try to address the problem of partial differential equation solving have been devised. On one side, "direct" quantum algorithms that aim at encoding the solution of the PDE by executing one…

Quantum Physics · Physics 2021-06-15 Adrien Suau , Gabriel Staffelbach , Henri Calandra

Thermodynamic computing has emerged as a promising paradigm for accelerating computation by harnessing the thermalization properties of physical systems. This work introduces a novel approach to solving quadratic programming problems using…

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

The Hubbard model has occupied the minds of condensed matter physicists for most part of the last century. This model provides insight into a range of phenomena in correlated electron systems. We wish to examine the paradigm of quantum…

Quantum Physics · Physics 2026-05-12 Kunal Vyas , Fengping Jin , Hans De Raedt , Kristel Michielsen

Effective low-energy theories represent powerful theoretical tools to reduce the complexity in modeling interacting quantum many-particle systems. However, common theoretical methods rely on perturbation theory, which limits their…

Quantum Physics · Physics 2021-11-18 Laura Gentini , Alessandro Cuccoli , Leonardo Banchi

Variational Bayes (VB) inference algorithm is used widely to estimate both the parameters and the unobserved hidden variables in generative statistical models. The algorithm -- inspired by variational methods used in computational physics…

Machine Learning · Statistics 2023-07-27 Hideyuki Miyahara , Vwani Roychowdhury

Estimating the ground-state energy of Hamiltonians is a fundamental task for which it is believed that quantum computers can be helpful. Several approaches have been proposed toward this goal, including algorithms based on quantum phase…

Quantum Physics · Physics 2025-11-26 Dhrumil Patel , Daniel Koch , Saahil Patel , Mark M. Wilde

One of the most promising applications for near term quantum computers is the simulation of physical quantum systems, particularly many-electron systems in chemistry and condensed matter physics. In solid state physics, finding the correct…

We present four quantum algorithms for solving a multidimensional drift-diffusion equation. They rely on a quantum linear system solver, a quantum Hamiltonian simulation, a quantum random walk, and the quantum Fourier transform. We compare…

Quantum Physics · Physics 2025-10-16 Ellen Devereux , Animesh Datta

The variational heat equation is a nonlinear, parabolic equation not in divergence form that arises as a model for the dynamics of the director field in a nematic liquid crystal. We present a finite difference scheme for a transformed,…

Numerical Analysis · Mathematics 2017-10-25 G. M. Coclite , J. Ridder , N. H. Risebro

The development of novel quantum many-body computational algorithms relies on robust benchmarking. However, generating such benchmarks is often hindered by the massive computational resources required for exact diagonalization or quantum…

Strongly Correlated Electrons · Physics 2025-12-29 Wei-Bo He , Yun-Tong Yang , Hong-Gang Luo

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm for finding the minimum eigenvalue of a Hamiltonian that involves the optimization of a parameterized quantum circuit. Since the resulting optimization…