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We propose a state-averaged orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for use on near-term quantum computers. Instead of parameterizing the orbital rotation operator in…

Chemical Physics · Physics 2024-04-09 Joel Bierman , Yingzhou Li , Jianfeng Lu

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

We develop the first quantum algorithm for the constrained portfolio optimization problem. The algorithm has running time $\widetilde{O} \left( n\sqrt{r} \frac{\zeta \kappa}{\delta^2} \log \left(1/\epsilon\right) \right)$, where $r$ is the…

Optimization and Control · Mathematics 2019-08-23 Iordanis Kerenidis , Anupam Prakash , Dániel Szilágyi

We present a cooling algorithm for ground state preparation of fermionic Hamiltonians. Our algorithm makes use of the Hamiltonian simulation of the considered system coupled to an ancillary fridge, which is regularly reset to its known…

Quantum Physics · Physics 2025-02-19 Lucas Marti , Refik Mansuroglu , Michael J. Hartmann

Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…

Quantum Physics · Physics 2024-11-05 Jakob Günther , Alberto Baiardi , Markus Reiher , Matthias Christandl

Quantum approaches to combinatorial optimization problems (COPs) are often limited by the resource demands of Quadratic Unconstrained Binary Optimization (QUBO) encodings, which enlarge circuits through penalty terms and increase qubit and…

Quantum Physics · Physics 2025-11-25 Frederik Koch , Shahram Panahiyan , Rick Mukherjee , Joseph Doetsch , Dieter Jaksch

Determining the properties of molecules and materials is one of the premier applications of quantum computing. A major question in the field is how to use imperfect near-term quantum computers to solve problems of practical value. Inspired…

Quantum optimization allows for up to exponential quantum speedups for specific, possibly industrially relevant problems. As the key algorithm in this field, we motivate and discuss the Quantum Approximate Optimization Algorithm (QAOA),…

Quantum Physics · Physics 2025-11-18 Jonas Stein , Maximilian Zorn , Leo Sünkel , Thomas Gabor

Ground-state estimation lies at the heart of a broad range of quantum simulations. Most near-term approaches are cast as variational energy minimization and thus inherit the challenges of problem-specific energy landscapes. We develop the…

Quantum Physics · Physics 2025-11-18 Kyunghyun Baek , Seungjin Lee , Joonsuk Huh , Dongkeun Lee , Jinhyoung Lee , M. S. Kim , Jeongho Bang

We present efficient quantum algorithms for simulating time-dependent Hamiltonian evolution of general input states using an oracular model of a quantum computer. Our algorithms use either constant or adaptively chosen time steps and are…

Quantum Physics · Physics 2011-11-03 Nathan Wiebe , Dominic W. Berry , Peter Hoyer , Barry C. Sanders

We study the efficiency of algorithms simulating a system evolving with Hamiltonian $H=\sum_{j=1}^m H_j$. We consider high order splitting methods that play a key role in quantum Hamiltonian simulation. We obtain upper bounds on the number…

Quantum Physics · Physics 2010-10-12 Anargyros Papageorgiou , Chi Zhang

Practical applicability of quantum optimisation on near term devices is constrained by limited qubit counts and hardware noise, which restricts the scalability of quantum optimisation algorithms for combinatorial problems. The simulation of…

Quantum Physics · Physics 2026-05-01 Namasi G Sankar , Georgios Miliotis , Simon Caton

In the era of quantum computing, the emergence of quantum computers and subsequent advancements have led to the development of various quantum algorithms capable of solving linear equations and eigenvalues, surpassing the pace of classical…

Quantum Physics · Physics 2024-11-26 Hyunju Lee , Kyungtaek Jun

The Quantum Approximate Optimization Algorithm (QAOA) has enjoyed increasing attention in noisy intermediate-scale quantum computing due to its application to combinatorial optimization problems. Because combinatorial optimization problems…

Optimization and Control · Mathematics 2024-01-18 Yunsoo Ha , Sara Shashaani , Matt Menickelly

This paper is an algorithmic study of quantum phase estimation with multiple eigenvalues. We present robust multiple-phase estimation (RMPE) algorithms with Heisenberg-limited scaling. The proposed algorithms improve significantly from the…

Quantum Physics · Physics 2023-10-26 Haoya Li , Hongkang Ni , Lexing Ying

Quantum simulation of complex quantum systems and their properties often requires the ability to prepare initial states in an eigenstate of the Hamiltonian to be simulated. In addition, to compute the eigenvalues of a Hamiltonian is in…

Quantum Physics · Physics 2020-05-21 Jing-Ning Zhang , Iñigo Arrazola , Jorge Casanova , Lucas Lamata , Kihwan Kim , Enrique Solano

Consider a path of non-degenerate eigenstates of unitary operators or Hamiltonians with minimum eigenvalue gap G. The eigenpath traversal problem is to transform one or more copies of the initial to the final eigenstate. Solutions to this…

Quantum Physics · Physics 2015-03-17 S. Boixo , E. Knill , R. D. Somma

We present a quantum algorithm for finding the minimum of a function based on multistep quantum computation and apply it for optimization problems with continuous variables, in which the variables of the problem are discretized to form the…

Quantum Physics · Physics 2023-07-03 Hefeng Wang , Hua Xiang

Quantum computers have the potential to efficiently solve a system of nonlinear ordinary differential equations (ODEs), which play a crucial role in various industries and scientific fields. However, it remains unclear which system of…

Quantum Physics · Physics 2025-04-07 Yu Tanaka , Keisuke Fujii

Quantum harmonic oscillators serve as fundamental building blocks for quantum information processing, particularly in the context of the bosonic circuit quantum electrodynamics (cQED) platform. Conventional methods for extracting oscillator…

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