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We develop a resource efficient step-merged quantum imaginary time evolution approach (smQITE) to solve for the ground state of a Hamiltonian on quantum computers. This heuristic method features a fixed shallow quantum circuit depth along…

Computational Physics · Physics 2020-09-21 Niladri Gomes , Feng Zhang , Noah F. Berthusen , Cai-Zhuang Wang , Kai-Ming Ho , Peter P. Orth , Yongxin Yao

Periodically driven quantum systems exhibit many fascinating phenomena absent in equilibrium systems, but their simulation is more challenging than that of static systems. Consequently, quantum simulation of these systems offers greater…

Quantum Physics · Physics 2025-06-03 Abhishek Kumar , Karunya Shirali , Nicholas J. Mayhall , Sophia E. Economou , Edwin Barnes

It is difficult to calculate the energy levels and eigenstates of a large physical system on a classical computer because of the exponentially growing size of the Hilbert space. In this work, we experimentally demonstrate a quantum…

Quantum Physics · Physics 2019-03-12 Zhaokai Li , Xiaomei Liu , Hefeng Wang , Sahel Ashhab , Jiangyu Cui , Hongwei Chen , Xinhua Peng , Jiangfeng Du

The variational quantum eigensolver (VQE) is a hybrid quantum-classical variational algorithm that produces an upper-bound estimate of the ground-state energy of a Hamiltonian. As quantum computers become more powerful and go beyond the…

We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…

Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

Quantum computing has demonstrated the potential to revolutionize our understanding of nuclear, atomic, and molecular structure by obtaining forefront solutions in non-relativistic quantum many-body theory. In this work, we show that…

Quantum Physics · Physics 2023-01-05 Wenyang Qian , Robert Basili , Soham Pal , Glenn Luecke , James P. Vary

We propose a variational approach to explore quasiparticle excitations in interacting quantum many-body systems, motivated by the potential in leveraging near-term noisy intermediate scale quantum devices for quantum state preparation. By…

Quantum Physics · Physics 2025-02-12 Rimika Jaiswal , Izabella Lovas , Leon Balents

This PhD thesis explores the potential of quantum computing to address computational challenges in high-energy physics (HEP). As the Standard Model (SM) leaves key questions unanswered and no signs of new physics have emerged since the…

Quantum Physics · Physics 2025-12-02 Jorge J. Martínez de Lejarza

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…

Quantum Physics · Physics 2023-01-24 Luca Erhart , Kosuke Mitarai , Wataru Mizukami , Keisuke Fujii

Quantum simulation provides a powerful route for exploring many-body phenomena beyond the capabilities of classical computation. Existing approaches typically proceed in the forward direction: a model Hamiltonian is specified, implemented…

The transformation of a molecular Hamiltonian from the fermionic space to the qubit space results in a series of Pauli strings. Calculating the energy then involves evaluating the expectation values of each of these strings, which presents…

Quantum Physics · Physics 2025-03-25 Harshdeep Singh , Sonjoy Majumder , Sabyashachi Mishra

The variational quantum eigensolver (VQE), a type of variational quantum algorithm, is a hybrid quantum-classical algorithm to find the lowest-energy eigenstate of a particular Hamiltonian. We investigate ways to optimize the VQE solving…

Quantum Physics · Physics 2024-10-30 Adam Hutchings , Eric Yarnot , Xinpeng Li , Qiang Guan , Ning Xie , Shuai Xu , Vipin Chaudhary

The real world obeys quantum physics and quantum computing presents an alternative way to map physical problems to systems that follow the same laws. Such computation fundamentally constitutes a better way to understand the most challenging…

Quantum Physics · Physics 2024-11-22 Elena Chachkarova , Terence Tse , Yordan Yordanov , Yao Wei , Cedric Weber

The Variational Quantum Eigensolver (VQE) is a promising algorithm for future Noisy Intermediate-Scale Quantum (NISQ) devices to simulate chemical systems. In this paper, we consider the classical simulation of the iterative Qubit Coupled…

Quantum Physics · Physics 2025-02-27 Damian S. Steiger , Thomas Häner , Scott N. Genin , Helmut G. Katzgraber

Solving partial differential equations for extremely large-scale systems within a feasible computation time serves in accelerating engineering developments. Quantum computing algorithms, particularly the Hamiltonian simulations, present a…

Quantum Physics · Physics 2024-09-10 Yuki Sato , Ruho Kondo , Ikko Hamamura , Tamiya Onodera , Naoki Yamamoto

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 propose a scheme to restore spatial symmetry of Hamiltonian in the variational-quantum-eigensolver (VQE) algorithm for which the quantum circuit structures used usually break the Hamiltonian symmetry. The symmetry-adapted VQE scheme…

Quantum Physics · Physics 2020-06-01 Kazuhiro Seki , Tomonori Shirakawa , Seiji Yunoki

As the advances in quantum hardware bring us into the noisy intermediate-scale quantum (NISQ) era, one possible task we can perform without quantum error correction using NISQ machines is the variational quantum eigensolver (VQE) due to its…

Quantum Physics · Physics 2020-07-29 Zhenyu Cai

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