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Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…

Quantum phase estimation (QPE) plays a pivotal role in many quantum algorithms, offering provable speedups in applications such as Shor's factoring algorithm. While fault-tolerant quantum algorithms for combinatorial and Hamiltonian…

Quantum Physics · Physics 2025-04-17 Nora Bauer , George Siopsis

Quantum chemical calculations (QCC) are computational techniques to analyze the characteristics of molecules. The variational quantum eigensolver (VQE) designed for noisy intermediate-scale quantum (NISQ) computers can be used to calculate…

Chemical Physics · Physics 2024-01-17 Satoshi Imamura , Akihiko Kasagi , Eiji Yoshida

The accurate calculation of electronic potential energy surfaces for ground and excited states is crucial for understanding photochemical processes, particularly near conical intersections. While classical methods are limited by scaling and…

Quantum Physics · Physics 2025-09-18 Tomáš Bezděk

Designing multi-qubit quantum logic gates with experimental constraints is an important problem in quantum computing. Here, we develop a new quantum optimal control algorithm for finding unitary transformations with constraints on the…

Quantum Physics · Physics 2025-08-25 Dylan Lewis , Roeland Wiersema , Sougato Bose

The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…

Quantum Physics · Physics 2022-06-09 Jie Liu , Lingyun Wan , Zhenyu Li , Jinlong Yang

In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubitization approach in second quantization and developed for…

Quantum computing faces a key challenge: balancing the need for low circuit depth (crucial for fault tolerance) with the high accuracy required for complex computations like quantum chemistry and error correction, which typically require…

Quantum Physics · Physics 2025-11-21 Ioana Moflic , Alexandru Paler , Akash Kundu

We provide explicit circuits implementing the Kitaev-Webb algorithm for the preparation of multi-dimensional Gaussian states on quantum computers. While asymptotically efficient due to its polynomial scaling, we find that the circuits…

Quantum Physics · Physics 2021-09-24 Christian W. Bauer , Plato Deliyannis , Marat Freytsis , Benjamin Nachman

We numerically investigate quantum circuit elementary-gate level instantiations of the standard Quantum Phase Estimation (QPE) algorithm for the task of computing the ground-state energy of a quantum magnet; the disordered fully-connected…

Quantum Physics · Physics 2026-03-02 Elijah Pelofske , Stephan Eidenbenz

For noisy intermediate-scale quantum (NISQ) devices only a moderate number of qubits with a limited coherence is available thus enabling only shallow circuits and a few time evolution steps in the currently performed quantum computations.…

Quantum Physics · Physics 2021-02-04 Diksha Dhawan , Mekena Metcalf , Dominika Zgid

We use the Variational Quantum Eigensolver (VQE) as implemented in the Qiskit software package to compute the ground state energy of small molecules derived from water, H$_2$O, and hydrogen cyanide, HCN. The work aims to benchmark…

Quantum Physics · Physics 2021-07-07 P. Lolur , M. Rahm , M. Skogh , L. García-Álvarez , G. Wendin

The Quantum Approximate Optimization Algorithm (QAOA) is a promising candidate algorithm for demonstrating quantum advantage in optimization using near-term quantum computers. However, QAOA has high requirements on gate fidelity due to the…

Quantum Physics · Physics 2023-03-20 Xiaoyuan Liu , Ruslan Shaydulin , Ilya Safro

Estimating the eigenstate properties of quantum systems is a long-standing, challenging problem for both classical and quantum computing. Existing universal quantum algorithms typically rely on ideal and efficient query models (e.g. time…

Quantum Physics · Physics 2026-01-21 Jinzhao Sun , Pei Zeng , Tom Gur , M. S. Kim

Combinatorial optimization on near-term quantum devices is a promising path to demonstrating quantum advantage. However, the capabilities of these devices are constrained by high noise or error rates. In this paper, we propose an iterative…

Quantum Physics · Physics 2022-05-12 Xiaoyuan Liu , Anthony Angone , Ruslan Shaydulin , Ilya Safro , Yuri Alexeev , Lukasz Cincio

This work presents an algorithm to generate depth, quantum gate and qubit optimized circuits for $GF(2^m)$ squaring in the polynomial basis. Further, to the best of our knowledge the proposed quantum squaring circuit algorithm is the only…

Quantum Physics · Physics 2017-06-19 Edgard Muñoz-Coreas , Himanshu Thapliyal

We present a low-depth amplitude encoding method for arbitrary quantum state preparation. Building on the foundation of an existing divide-and-conquer algorithm, we propose a method to disentangle the ancillary qubits from the final state.…

Quantum Physics · Physics 2025-10-10 Roselyn Nmaju , Fiona Speirits , Sarah Croke

In this work, we provide the first QFT-free algorithm for Quantum Amplitude Estimation (QAE) that is asymptotically optimal while maintaining the leading numerical performance. QAE algorithms appear as a subroutine in many applications for…

Quantum Physics · Physics 2023-02-27 Shion Fukuzawa , Christopher Ho , Sandy Irani , Jasen Zion

Developing methods to solve nuclear many-body problems with quantum computers is an imperative pursuit within the nuclear physics community. Here, we introduce a quantum algorithm to accurately and precisely compute the ground state of…

Nuclear Theory · Physics 2024-06-11 Sota Yoshida , Takeshi Sato , Takumi Ogata , Tomoya Naito , Masaaki Kimura

The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximate ground state energies of quantum systems.…