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It is believed that one of the first useful applications for a quantum computer will be the preparation of groundstates of molecular Hamiltonians. A crucial task involving state preparation and readout is obtaining physical observables of…

As we enter a new era of quantum technology, it is increasingly important to develop methods to aid in the accurate preparation of quantum states for a variety of materials, matter, and devices. Computational techniques can be used to…

Non-Hermitian (NH) quantum systems have emerged as a powerful framework for describing open quantum systems, non-equilibrium dynamics, and engineered quantum optical materials. However, solving the ground-state properties of NH systems is…

Quantum Physics · Physics 2025-12-17 Lavoisier Wah , Remmy Zen , Flore K. Kunst

The rapid development of neural quantum states (NQS) has established it as a promising framework for studying quantum many-body systems. In this work, by leveraging the cutting-edge transformer-based architectures and developing highly…

Strongly Correlated Electrons · Physics 2025-07-11 Yuntian Gu , Wenrui Li , Heng Lin , Bo Zhan , Ruichen Li , Yifei Huang , Di He , Yantao Wu , Tao Xiang , Mingpu Qin , Liwei Wang , Dingshun Lv

This study investigates the application of quantum machine learning (QML) to approximate the nonlinear component of the collision operator within the quantum lattice Boltzmann method (QLBM). To achieve this, we train a variational quantum…

We consider a special type of Restricted Boltzmann machine (RBM), namely a Gaussian-spherical RBM where the visible units have Gaussian priors while the vector of hidden variables is constrained to stay on an ${\mathbbm L}_2$ sphere. The…

Disordered Systems and Neural Networks · Physics 2023-07-17 Aurélien Decelle , Cyril Furtlehner

The classification of quantum states into distinct classes poses a significant challenge. In this study, we address this problem using quantum neural networks in combination with a problem-inspired circuit and customised as well as…

Quantum Physics · Physics 2025-04-10 Diksha Sharma , Vivek Balasaheb Sabale , Thirumalai M. , Atul Kumar

We have implemented a gated-based quantum version of a restricted Boltzmann machine for approximating the ground state of a Pauli-decomposed qubit Hamiltonian. During the implementation and evaluation, we have noticed a variety of…

Quantum Physics · Physics 2023-02-01 Felix Paul , Michael Falkenthal , Sebastian Feld

Preparation of a target quantum many-body state on quantum simulators is one of the significant steps in quantum science and technology. With a small number of qubits, a few quantum states, such as the Greenberger-Horne-Zeilinger state,…

Quantum Physics · Physics 2023-07-28 Donggyu Kim , Eun-Gook Moon

Exponential complexity of many-body wave functions limits accurate numerical simulations of real-time dynamics, especially beyond 1D, where rapid entanglement growth poses severe challenges. Neural Quantum States (NQS) have emerged as a…

Quantum Physics · Physics 2026-04-08 Vighnesh Dattatraya Naik , Zheng-Hang Sun , Markus Heyl

Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…

Quantum Physics · Physics 2024-08-01 Joseph Peetz , Scott E. Smart , Prineha Narang

Neural quantum states (NQS) are a novel class of variational many-body wave functions that are very flexible in approximating diverse quantum states. Optimization of an NQS ansatz requires sampling from the corresponding probability…

Strongly Correlated Electrons · Physics 2021-09-15 Andrey A. Bagrov , Askar A. Iliasov , Tom Westerhout

Neural quantum states (NQS) have emerged as a powerful variational ansatz for representing quantum many-body wave functions. Their internal mechanisms, however, remain poorly understood. We investigate the role of correlations for NQS-like…

Quantum Physics · Physics 2025-08-21 Fabian Döschl , Annabelle Bohrdt

Neural quantum states (NQS) attract a lot of attention due to their potential to serve as a very expressive variational ansatz for quantum many-body systems. Here we study the main factors governing the applicability of NQS to frustrated…

Disordered Systems and Neural Networks · Physics 2020-04-06 Tom Westerhout , Nikita Astrakhantsev , Konstantin S. Tikhonov , Mikhail Katsnelson , Andrey A. Bagrov

Neural-network quantum states (NQS) employ artificial neural networks to encode many-body wave functions in second quantization through variational Monte Carlo (VMC). They have recently been applied to accurately describe electronic wave…

Chemical Physics · Physics 2023-11-27 Xiang Li , Jia-Cheng Huang , Guang-Ze Zhang , Hao-En Li , Chang-su Cao , Dingshun Lv , Han-Shi Hu

Generative machine learning models like the Restricted Boltzmann Machine (RBM) provide a practical approach for ansatz construction within the quantum computing framework. This work introduces a method that efficiently leverages RBM and…

Chemical Physics · Physics 2025-03-12 Sonaldeep Halder , Kartikey Anand , Rahul Maitra

This work presents a novel realization approach to Quantum Boltzmann Machines (QBMs). The preparation of the required Gibbs states, as well as the evaluation of the loss function's analytic gradient is based on Variational Quantum Imaginary…

Quantum Physics · Physics 2021-03-01 Christa Zoufal , Aurélien Lucchi , Stefan Woerner

Nuclear magnetic resonance spectroscopy is one of the few remaining areas of physical chemistry for which polynomially scaling simulation methods have not so far been available. Here, we report such a method and illustrate its performance…

Chemical Physics · Physics 2014-07-16 Luke J. Edwards , D. V. Savostyanov , Z. T. Welderufael , Donghan Lee , Ilya Kuprov

Due to the complexity of the space of quantum many-body states the computation of expectation values by statistical sampling is, in general, a hard task. Neural network representations of such quantum states which can be physically…

Quantum Physics · Physics 2019-12-04 Stefanie Czischek , Jan M. Pawlowski , Thomas Gasenzer , Martin Gärttner

The ground state of second-quantized quantum chemistry Hamiltonians is key to determining molecular properties. Neural quantum states (NQS) offer flexible and expressive wavefunction ansatze for this task but face two main challenges:…

Chemical Physics · Physics 2025-06-18 An-Jun Liu , Bryan K. Clark