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The Density Matrix Renormalization Group (DMRG) algorithm is a powerful tool for solving eigenvalue problems to model quantum systems. DMRG relies on tensor contractions and dense linear algebra to compute properties of condensed matter…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-26 Ryan Levy , Edgar Solomonik , Bryan K. Clark

The use of Gaussian process models is typically limited to datasets with a few tens of thousands of observations due to their complexity and memory footprint. The two most commonly used methods to overcome this limitation are 1) the…

Machine Learning · Statistics 2020-01-16 Vincent Adam , Stefanos Eleftheriadis , Nicolas Durrande , Artem Artemev , James Hensman

Advances in quantum simulator technology is increasingly required because research on quantum algorithms is becoming more sophisticated and complex. State vector simulation utilizes CPU and memory resources in computing nodes exponentially…

Quantum Physics · Physics 2024-09-04 Mikio Morita , Yoshinori Tomita , Junpei Koyama , Koichi Kimura

This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…

Quantum Physics · Physics 2025-09-29 Abdelmouheymen Rabah Khamadja , Mohamed Taha Rouabah

Efficiently preparing approximate ground-states of large, strongly correlated systems on quantum hardware is challenging and yet nature is innately adept at this. This has motivated the study of thermodynamically inspired approaches to…

Subspace diagonalisation methods have appeared recently as promising means to access the ground state and some excited states of molecular Hamiltonians by classically diagonalising small matrices, whose elements can be efficiently obtained…

Quantum Physics · Physics 2024-03-13 Maria-Andreea Filip , David Muñoz Ramo , Nathan Fitzpatrick

This paper presents a tensor-recovery method to solve probabilistic power flow problems. Our approach generates a high-dimensional and sparse generalized polynomial-chaos expansion that provides useful statistical information. The result…

Computational Engineering, Finance, and Science · Computer Science 2015-08-12 Zheng Zhang , Hung Dinh Nguyen , Konstantin Turitsyn , Luca Daniel

Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…

Quantum Physics · Physics 2019-06-12 Suguru Endo , Tyson Jones , Sam McArdle , Xiao Yuan , Simon Benjamin

Estimating molecular ground-state energies is a central application of quantum computing, requiring both the preparation of accurate quantum states and efficient energy readout. Understanding the effect of hardware noise on these…

Quantum Physics · Physics 2025-12-23 Ludwig Nützel , Michael J. Hartmann , Henrik Dreyer , Etienne Granet

We propose a single-layer tensor network framework for the variational determination of ground states in two-dimensional quantum lattice models. By combining the nested tensor network method [Phys. Rev. B 96, 045128 (2017)] with the…

Strongly Correlated Electrons · Physics 2026-04-17 Hongyu Chen , Yangfeng Fu , Weiqiang Yu , Rong Yu , Z. Y. Xie

We combine the Density Matrix Renormalization Group (DMRG) with Matrix Product State tangent space concepts to construct a variational algorithm for finding ground states of one dimensional quantum lattices in the thermodynamic limit. A…

Quantum Physics · Physics 2019-04-22 V. Zauner-Stauber , L. Vanderstraeten , M. T. Fishman , F. Verstraete , J. Haegeman

We present experimental quantum computation of the ground-state energy in a 103-site flat Kagome lattice under the antiferromagnetic Heisenberg model (KAFH), with IBM's Heron r1 and Heron r2 quantum processors. For spin-1/2 KAFH, our…

Quantum Physics · Physics 2025-07-18 Muhammad Ahsan

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…

A momentum-space approach of the density-matrix renormalization-group (DMRG) method is developed. Ground state energies of the Hubbard model are evaluated using this method and compared with exact diagonalization as well as quantum…

Condensed Matter · Physics 2009-10-28 T. Xiang

We show how a ground state trial wavefunction of a Fermi liquid can be systematically improved introducing a sequence of renormalized coordinates through an iterative backflow transformation. We apply this scheme to calculate the ground…

Strongly Correlated Electrons · Physics 2015-06-23 Michele Taddei , Michele Ruggeri , Saverio Moroni , Markus Holzmann

We introduce a variational manifold of simple tensor network states for the study of a family of constrained models that describe spin-1/2 systems as realized by Rydberg atom arrays. Our manifold permits analytical calculation via…

Quantum Physics · Physics 2024-05-13 Joey Li , Giuliano Giudici , Hannes Pichler

The use of a single-qubit parametrized circuit as an Ansatz for the variational wave function in the calculation of the ground state energy of a quantum many-body system is demonstrated using the one-dimensional Bose-Hubbard model.…

Quantum Physics · Physics 2024-06-14 R. M. Woloshyn

We consider the problem of estimating the energy of a quantum state preparation for a given Hamiltonian in Pauli decomposition. For various quantum algorithms, in particular in the context of quantum chemistry, it is crucial to have energy…

Quantum Physics · Physics 2025-08-20 Alexander Gresch , Uğur Tepe , Martin Kliesch

Ground state energy estimation in physical, chemical, and materials sciences is one of the most promising applications of quantum computing. In this work, we introduce a new hybrid approach that finds the eigenenergies by collecting…

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…