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Quantum simulations are bound to be one of the main applications of near-term quantum computers. Quantum chemistry and condensed matter physics are expected to benefit from these technological developments. Several quantum simulation…

Quantum Physics · Physics 2018-01-04 Pierre-Luc Dallaire-Demers , Jonathan Romero , Libor Veis , Sukin Sim , Alán Aspuru-Guzik

Molecular quantum simulations with the variational quantum eigensolver (VQE) rely on ansatz states that approximate the molecular ground states. These ansatz states are generally defined by parametrized fermionic excitation operators and an…

Quantum Physics · Physics 2021-01-04 Yordan S. Yordanov , David R. M. Arvidsson-Shukur , Crispin H. W. Barnes

The hardware requirements of useful quantum algorithms remain unmet by the quantum computers available today. Because it was designed to soften these requirements, the Variational Quantum Eigensolver (VQE) has gained popularity as a…

Quantum Physics · Physics 2022-12-09 Mafalda Ramôa

The still-maturing noisy intermediate-scale quantum (NISQ) technology faces strict limitations on the algorithms that can be implemented efficiently. In quantum chemistry, the variational quantum eigensolver (VQE) algorithm has become…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Bo Peng , Nicholas P. Bauman , Karol Kowalski , Travis S. Humble

We explore a non-variational quantum state preparation approach combined with the ADAPT operator selection strategy in the application of preparing the ground state of a desired target Hamiltonian. In this algorithm, energy gradient…

Cat states are an important resource for fault-tolerant quantum computing, where they serve as building blocks for a variety of fault-tolerant primitives. Consequently, the ability to prepare high-quality cat states at large fault distances…

Quantum Physics · Physics 2026-01-08 Tom Peham , Erik Weilandt , Robert Wille

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…

Quantum-selected configuration interaction (QSCI) has emerged as a feasible approach for approximating electronic ground states on noisy quantum devices toward large-system demonstrations. In QSCI, Slater determinants are sampled from a…

Quantum Physics · Physics 2026-04-14 Ryota Kemmoku , Qi Gao , Shu Kanno , Kimberlee Keithley , Ikko Hamamura , Naoki Yamamoto , Kouhei Nakaji

Many quantum algorithms rely on a quality initial state for optimal performance. Preparing an initial state for specific applications can considerably reduce the cost of probabilistic algorithms such as the well studied quantum phase…

Quantum Physics · Physics 2024-12-10 Alexandre Fleury , James Brown , Erika Lloyd , Maritza Hernandez , Isaac H. Kim

Variational quantum eigensolver (VQE) emerged as a first practical algorithm for near-term quantum computers. Its success largely relies on the chosen variational ansatz, corresponding to a quantum circuit that prepares an approximate…

Quantum Physics · Physics 2020-07-10 D. Chivilikhin , A. Samarin , V. Ulyantsev , I. Iorsh , A. R. Oganov , O. Kyriienko

This work explores the application of the concurrent variational quantum eigensolver (cVQE) for computing excited states of the Schwinger model. By designing suitable ansatz circuits utilizing universal SO(4) or SO(8) qubit gates, we…

Quantum Physics · Physics 2024-07-23 Yibin Guo , Takis Angelides , Karl Jansen , Stefan Kühn

The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) is one of the most widely used algorithms for electronic structure calculations in quantum computers. It adaptively selects operators based on…

Chemical Physics · Physics 2025-08-29 Nonia Vaquero-Sabater , Abel Carreras , David Casanova

The variational quantum eigensolver (VQE) is an algorithm for finding the ground states of a given Hamiltonian. Its application to binary-formulated combinatorial optimization (CO) has been widely studied in recent years. However, typical…

Quantum Physics · Physics 2025-08-08 Ningyi Xie , Xinwei Lee , Tiejin Chen , Yoshiyuki Saito , Nobuyoshi Asai , Dongsheng Cai

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

Variational Quantum Algorithms (VQA) are promising to demonstrate quantum advantages on near-term devices. Designing ansatz, a variational circuit with parameterized gates, is of paramount importance for VQA as it lays the foundation for…

Quantum Physics · Physics 2022-10-18 Jinglei Cheng , Hanrui Wang , Zhiding Liang , Yiyu Shi , Song Han , Xuehai Qian

The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic energies for molecules. In this work we report the…

Quantum computers hold great promise for efficiently simulating Fermionic systems, benefiting fields like quantum chemistry and materials science. To achieve this, algorithms typically begin by choosing a Fermion-to-qubit mapping to encode…

Quantum Physics · Physics 2024-07-30 Aaron Miller , Adam Glos , Zoltán Zimborás

Current experimental quantum computing devices are limited by noise, mainly originating from entangling gates. If an efficient gate sequence for an operation is unknown, one often employs layered parameterized quantum circuits, especially…

Quantum Physics · Physics 2025-11-12 Tom R. Rieckmann , Stefan Scheel , A. Douglas K. Plato

We apply the adaptive variational quantum imaginary time evolution (AVQITE) method to prepare ground states of one-dimensional spin $S=1$ models. We compare different spin-to-qubit encodings (standard binary, Gray, unary, and multiplet)…

Quantum Physics · Physics 2024-09-02 João C. Getelina , Cai-Zhuang Wang , Thomas Iadecola , Yong-Xin Yao , Peter P. Orth

In the paper, we consider quantum circuits for the Quantum Fourier Transform (QFT) algorithm. The QFT algorithm is a very popular technique used in many quantum algorithms. We present a generic method for constructing quantum circuits for…

Quantum Physics · Physics 2026-01-05 Kamil Khadiev , Aliya Khadieva , Vadim Sagitov , Kamil Khasanov