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A numerically implementable Multi-scale Many-Body approach to strongly correlated electron systems is introduced. An extension to quantum cluster methods, it approximates correlations on any given length-scale commensurate with the strength…

Strongly Correlated Electrons · Physics 2012-01-04 C. Slezak , M. Jarrell , Th. Maier , J. Deisz

Low bit-width integer weights and activations are very important for efficient inference, especially with respect to lower power consumption. We propose Monte Carlo methods to quantize the weights and activations of pre-trained neural…

Machine Learning · Computer Science 2020-01-08 Gonçalo Mordido , Matthijs Van Keirsbilck , Alexander Keller

We present an algorithmic framework for a variant of the quantum Monte Carlo operator-loop algorithm, where non-local cluster updates are constructed in a way that makes each individual loop smaller. The algorithm is designed to increase…

Statistical Mechanics · Physics 2016-09-08 Ying-Jer Kao , Roger G. Melko

Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we explore the usefulness of non-iterative energy corrections, based on the method of…

Chemical Physics · Physics 2023-05-03 Ilias Magoulas , Francesco A. Evangelista

Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite lifetime. Hybrid algorithms leveraging classical resources have demonstrated promising initial results…

Variational optimization of neural-network quantum state representations has achieved FCI-level accuracy for ground state calculations, yet computing optical properties involving excited states remains challenging. In this work, we present…

Chemical Physics · Physics 2025-06-10 Wei Liu , Rui-Hao Bi , Wenjie Dou

Quantum Monte Carlo methods have proven to be valuable in the study of strongly correlated quantum systems, particularly nuclear physics and cold atomic gases. Historically, such ab initio simulations have been used to study properties of…

Nuclear Theory · Physics 2012-10-26 J. Carlson , Stefano Gandolfi , Alexandros Gezerlis

Many experimentally-accessible, finite-sized interacting quantum systems are most appropriately described by the canonical ensemble of statistical mechanics. Conventional numerical simulation methods either approximate them as being coupled…

Strongly Correlated Electrons · Physics 2023-05-23 Tong Shen , Hatem Barghathi , Jiangyong Yu , Adrian Del Maestro , Brenda Rubenstein

Representations of quantum computations are almost always based on a tensor product $\otimes$-structure. This coincides with what we are able to execute in our experiments, as well as what we observe in Nature, but it makes certain familiar…

Quantum Physics · Physics 2021-11-05 Luca Mondada

In this work, we test a recently developed method to enhance classical auxiliary-field quantum Monte Carlo (AFQMC) calculations with quantum computers against examples from chemistry and material science, representatives of classes of…

Solving the electronic Schrodinger equation for strongly correlated ground states is a long-standing challenge. We present quantum algorithms for the variational optimization of wavefunctions correlated by products of unitary operators,…

Quantum Physics · Physics 2024-08-06 Mario Motta , Kevin J. Sung , James Shee

Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

Quantum Physics · Physics 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

Variational quantum calculations have borrowed many tools and algorithms from the machine learning community in the recent years. Leveraging great expressive power and efficient gradient-based optimization, researchers have shown that trial…

Disordered Systems and Neural Networks · Physics 2024-08-19 Matija Medvidović , Javier Robledo Moreno

We present a hybrid scheme for quantum computation that combines the modular structure of elementary building blocks used in the circuit model with the advantages of a measurement-based approach to quantum computation. We show how to…

Quantum Physics · Physics 2014-06-24 M. Zwerger , H. J. Briegel , W. Dür

Variational quantum algorithms are poised to have significant impact on high-dimensional optimization, with applications in classical combinatorics, quantum chemistry, and condensed matter. Nevertheless, the optimization landscape of these…

Quantum Physics · Physics 2022-02-02 Taylor L. Patti , Omar Shehab , Khadijeh Najafi , Susanne F. Yelin

Quantum computing is emerging as a new computing resource that could be superior to conventional computing for certain classes of optimization problems. However, in principle, most existing approaches to quantum optimization are intended to…

Optimization and Control · Mathematics 2022-01-21 Chin-Yao Chang , Eric Jones , Yiyun Yao , Peter Graf , Rishabh Jain

We introduce a unified formulation of variational methods for simulating ground state properties of quantum many-body systems. The key feature is a novel variational method over quantum circuits via infinitesimal unitary transformations,…

Quantum Physics · Physics 2009-11-13 Christopher M. Dawson , Jens Eisert , Tobias J. Osborne

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.…

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

We propose a novel algorithm for calculating the ground-state energy of quantum many-body systems by combining auxiliary-field quantum Monte Carlo (AFQMC) with tensor-train sketching. In AFQMC, a good trial wavefunction to guide the random…

Numerical Analysis · Mathematics 2026-02-17 Ziang Yu , Shiwei Zhang , Yuehaw Khoo