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We propose a method for constructing $\texttt{PREPARE}$ circuits for quantum phase estimation of a molecular Hamiltonian in quantum chemistry by using variational optimization of quantum circuits solely on classical computers. The…

Quantum Physics · Physics 2025-05-02 Hayata Morisaki , Kosuke Mitarai , Keisuke Fujii , Yuya O. Nakagawa

Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we…

Quantum Physics · Physics 2026-05-07 Abel Carreras , David Casanova , Román Orús

We develop a new algorithm based on the time-dependent variational principle applied to matrix product states to efficiently simulate the real- and imaginary time dynamics for infinite one-dimensional quantum lattice systems. This…

Strongly Correlated Electrons · Physics 2012-03-13 Jutho Haegeman , J. Ignacio Cirac , Tobias J. Osborne , Iztok Pizorn , Henri Verschelde , Frank Verstraete

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There…

Quantum Physics · Physics 2023-03-22 Manpreet Singh Jattana , Fengping Jin , Hans De Raedt , Kristel Michielsen

We investigate quantum phase transitions (QPTs) in spin chain systems characterized by local Hamiltonians with matrix product ground states. We show how to theoretically engineer such QPT points between states with predetermined properties.…

Statistical Mechanics · Physics 2009-11-11 Michael M. Wolf , Gerardo Ortiz , Frank Verstraete , J. Ignacio Cirac

Current quantum simulators suffer from multiple limitations such as short coherence time, noisy operations, faulty readout and restricted qubit connectivity in some platforms. Variational quantum algorithms are the most promising approach…

Quantum Physics · Physics 2023-05-31 Chufan Lyu , Xiaoyu Tang , Junning Li , Xusheng Xu , Man-Hong Yung , Abolfazl Bayat

Simulating quantum imaginary-time evolution (QITE) is a major promise of quantum computation. However, the known algorithms are either probabilistic (repeat until success) with impractically small success probabilities or coherent (quantum…

Quantum Physics · Physics 2023-11-02 Thais de Lima Silva , Márcio M. Taddei , Stefano Carrazza , Leandro Aolita

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

In this paper we construct the continuous Matrix Product State (MPS) representation of the vacuum of the field theory corresponding to the continuous limit of an Ising model. We do this by exploiting the observation made by Hastings and…

Statistical Mechanics · Physics 2022-09-22 Emanuele Tirrito , Neil J. Robinson , Maciej Lewenstein , Shi-Ju Ran , Luca Tagliacozzo

Simulating the time-evolution of a Hamiltonian is one of the most promising applications of quantum computers. Multi-Product Formulas (MPFs) are well suited to replace standard product formulas since they scale better with respect to time…

Quantum Physics · Physics 2023-07-26 Almudena Carrera Vazquez , Daniel J. Egger , David Ochsner , Stefan Woerner

Quantum computers can efficiently simulate highly entangled quantum systems, offering a solution to challenges facing classical simulation of Quantum Field Theories (QFTs). This paper presents an alternative to traditional methods for…

Quantum Physics · Physics 2025-09-03 James Ingoldby , Michael Spannowsky , Timur Sypchenko , Simon Williams

We introduce AQCtensor, a novel algorithm to produce short-depth quantum circuits from Matrix Product States (MPS). Our approach is specifically tailored to the preparation of quantum states generated from the time evolution of quantum…

Quantum Physics · Physics 2025-06-23 Niall F. Robertson , Albert Akhriev , Jiri Vala , Sergiy Zhuk

Common wisdom says that the entanglement of fermionic systems can be low in the second quantization formalism but is extremely large in the first quantization. Hence Matrix Product State (MPS) methods based on moderate entanglement have…

Quantum Physics · Physics 2026-03-31 Jheng-Wei Li , Xavier Waintal

Scalable quantum algorithms for the simulation of quantum many-body systems in thermal equilibrium are important for predicting properties of quantum matter at finite temperatures. Here we describe and benchmark a quantum computing version…

Quantum Physics · Physics 2023-09-20 João C. Getelina , Niladri Gomes , Thomas Iadecola , Peter P. Orth , Yong-Xin Yao

The variational principle of quantum mechanics is the backbone of hybrid quantum computing for a range of applications. However, as the problem size grows, quantum logic errors and the effect of barren plateaus overwhelm the quality of the…

Quantum Physics · Physics 2021-04-01 Harish J. Vallury , Michael A. Jones , Charles D. Hill , Lloyd C. L. Hollenberg

Quantum turbulence spans length scales from the system size $L$ to the healing length $\xi$, making direct numerical simulations (DNS) of the Gross-Pitaevskii (GP) equation computationally expensive when $L \gg \xi$. We present a matrix…

The development of quantum algorithms and their application to quantum chemistry has introduced new opportunities for solving complex molecular problems that are computationally infeasible for classical methods. In quantum chemistry, the…

Quantum Physics · Physics 2025-08-18 Fabio Tarocco , Davide Materia , Leonardo Ratini , Leonardo Guidoni

Classical simulations of quantum circuits are vital for assessing potential quantum advantage and benchmarking devices, yet they require sophisticated methods to avoid the exponential growth of resources. Tensor network approaches, in…

Hardware-efficient empirical variational ans\"atze for Variational Quantum Eigensolver simulations of Quantum Chemistry suffer from the lack of a direct connection to classical Quantum Chemistry methods. In the present work, we propose a…

Quantum Physics · Physics 2025-09-03 Davide Materia , Leonardo Ratini , Celestino Angeli , Leonardo Guidoni

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…

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