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Finding high-quality trial wave functions for quantum Monte Carlo calculations of light nuclei requires a strong intuition for modeling the interparticle correlations as well as large computational resources for exploring the space of…

Nuclear Theory · Physics 2026-05-29 Pengsheng Wen , Alexandros Gezerlis , Jeremy W. Holt

A Monte Carlo method is presented to evaluate quantum states with many particles moving in the continuum. The scattering state is generated at each time by a Monte Carlo random sampling algorithm. The same calculation are repeated until the…

Nuclear Theory · Physics 2013-06-06 Zhen-Xiang Xu , Chong Qi

Wave-function Monte Carlo methods are an important tool for simulating quantum systems, but the standard method cannot be used to simulate decoherence in continuously measured systems. Here we present a new Monte Carlo method for such…

Quantum Physics · Physics 2013-05-29 Kurt Jacobs

Modern day quantum simulators can prepare a wide variety of quantum states but the accurate estimation of observables from tomographic measurement data often poses a challenge. We tackle this problem by developing a quantum state tomography…

Quantum Physics · Physics 2022-09-27 Tobias Schmale , Moritz Reh , Martin Gärttner

We study the performance of efficient quantum state tomography methods based on neural network quantum states using measured data from a two-photon experiment. Machine learning inspired variational methods provide a promising route towards…

Machine-learning-based variational Monte Carlo simulations are a promising approach for targeting quantum many-body ground states, especially in two dimensions and in cases where the ground state is known to have a non-trivial sign…

Strongly Correlated Electrons · Physics 2025-10-14 M. Schuyler Moss , Roeland Wiersema , Mohamed Hibat-Allah , Juan Carrasquilla , Roger G. Melko

Neural-network quantum states have emerged as a powerful variational framework for quantum many-body systems, with recent progress often driven by massively parallel architectures such as transformers. Recurrent neural network quantum…

Strongly Correlated Electrons · Physics 2026-05-14 Ejaaz Merali , Mohamed Hibat-Allah , Mohammad Kohandel , Richard T. Scalettar , Ehsan Khatami

Neural networks (NNs) representing quantum states are typically trained using Markov chain Monte Carlo based methods. However, unless specifically designed, such samplers only consist of local moves, making the slow-mixing problem prominent…

Quantum Physics · Physics 2022-09-28 Yuan-Hang Zhang , Massimiliano Di Ventra

We initiate the study of neural-network quantum state algorithms for analyzing continuous-variable lattice quantum systems in first quantization. A simple family of continuous-variable trial wavefunctons is introduced which naturally…

Quantum Physics · Physics 2021-07-16 James Stokes , Saibal De , Shravan Veerapaneni , Giuseppe Carleo

Simulating strongly correlated fermionic systems remains a fundamental challenge in quantum physics, largely due to the sign problem in quantum Monte Carlo (QMC) methods. We present a neural network-based variational Monte Carlo (NN-VMC)…

Computational Physics · Physics 2025-09-09 William Freitas , B. Abreu , S. A. Vitiello

We investigate the use of variational wave-functions that mimic stochastic recurrent neural networks, specifically, unrestricted Boltzmann machines, as guiding functions in projective quantum Monte Carlo (PQMC) simulations of quantum spin…

Statistical Mechanics · Physics 2018-12-27 E. M. Inack , G. E. Santoro , L. Dell'Anna , S. Pilati

These lecture notes introduce quantum spin systems and several computational methods for studying their ground-state and finite-temperature properties. Symmetry-breaking and critical phenomena are first discussed in the simpler setting of…

Strongly Correlated Electrons · Physics 2015-03-17 Anders W. Sandvik

We discuss a projector Monte Carlo method for quantum spin models formulated in the valence bond basis, using the S=1/2 Heisenberg antiferromagnet as an example. Its singlet ground state can be projected out of an arbitrary basis state as…

Strongly Correlated Electrons · Physics 2007-05-23 A. W. Sandvik , K. S. D. Beach

Quantum state tomography is a key process in most quantum experiments. In this work, we employ quantum machine learning for state tomography. Given an unknown quantum state, it can be learned by maximizing the fidelity between the output of…

Inspired by the universal approximation theorem and widespread adoption of artificial neural network techniques in a diversity of fields, we propose feed-forward neural networks as a general purpose trial wave function for quantum Monte…

Computational Physics · Physics 2021-01-26 Jan Kessler , Francesco Calcavecchia , Thomas D. Kühne

The introduction of Neural Quantum States (NQS) has recently given a new twist to variational Monte Carlo (VMC). The ability to systematically reduce the bias of the wave function ansatz renders the approach widely applicable. However,…

Computational Physics · Physics 2023-02-08 Markus Schmitt , Moritz Reh

We propose an efficient numerical method, which combines the advantages of recently developed tensor-network based methods and standard trial wave functions, to study the ground state properties of quantum many-body systems. In this…

Strongly Correlated Electrons · Physics 2015-05-22 Olga Sikora , Hsueh-Wen Chang , Chung-Pin Chou , Frank Pollmann , Ying-Jer Kao

This review covers applications of quantum Monte Carlo methods to quantum mechanical problems in the study of electronic and atomic structure, as well as applications to statistical mechanical problems both of static and dynamic nature. The…

chem-ph · Physics 2016-10-26 M. P. Nightingale , C. J. Umrigar

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

We investigate the inclusion of variable spins in electronic structure quantum Monte Carlo, with a focus on diffusion Monte Carlo with Hamiltonians that include spin-orbit interactions. Following our previous introduction of fixed-phase…

Computational Physics · Physics 2016-07-27 Cody A. Melton , M. Chandler Bennett , Lubos Mitas