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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

Neural Quantum States (NQS) are powerful tools used to represent complex quantum many-body states in an increasingly wide range of applications. However, despite their popularity, at present only a rudimentary understanding of their…

Neural-network quantum states (NQS) have become a powerful tool in many-body physics. Of the numerous possible architectures in which neural-networks can encode amplitudes of quantum states the simplicity of the Restricted Boltzmann Machine…

Quantum Physics · Physics 2021-09-15 Michael Y. Pei , Stephen R. Clark

Neural quantum states are a new family of variational ans\"atze for quantum-many body wave functions with advantageous properties in the notoriously challenging case of two spatial dimensions. Since their introduction a wide variety of…

Strongly Correlated Electrons · Physics 2023-05-24 Moritz Reh , Markus Schmitt , Martin Gärttner

Neural Network Quantum States (NQS) represent quantum wavefunctions by artificial neural networks. Here we study the wavefunction access provided by NQS defined in [Science, \textbf{355}, 6325, pp. 602-606 (2017)] and relate it to results…

Quantum Physics · Physics 2023-03-08 Vojtech Havlicek

Neural quantum states (NQS) have emerged as a promising approach to solve second-quantized Hamiltonians, because of their scalability and flexibility. In this work, we design and benchmark an NQS impurity solver for the quantum embedding…

Strongly Correlated Electrons · Physics 2026-03-16 Yinzhanghao Zhou , Tsung-Han Lee , Ao Chen , Nicola Lanatà , Hong Guo

Simulating quantum algorithms with classical resources generally requires exponential resources. However, heuristic classical approaches are often very efficient in approximately simulating special circuit structures, for example with…

Quantum Physics · Physics 2018-08-17 Bjarni Jónsson , Bela Bauer , Giuseppe Carleo

Modeling quantum many-body systems is enormously challenging due to the exponential scaling of Hilbert dimension with system size. Finding efficient compressions of the wavefunction is key to building scalable models. Here, we introduce…

Computational Physics · Physics 2020-03-16 Christopher Roth

We present a novel quantum algorithm for approximating the ground-state in quantum many-body systems, particularly suited for Noisy Intermediate-Scale Quantum (NISQ) devices. Our approach integrates Variational Quantum Eigensolvers (VQE)…

Quantum Physics · Physics 2024-03-18 Yihao Liu , Min-Quan He , Z. D. Wang

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

Quantum emitters coupled to one-dimensional waveguides constitute a paradigmatic quantum-optical platform for exploring collective phenomena in open quantum many-body systems. For appropriately spaced emitters, they realize the Dicke model,…

Quantum Physics · Physics 2025-08-13 Tatiana Vovk , Anka Van de Walle , Hannes Pichler , Annabelle Bohrdt

Quantum theory has been remarkably successful in providing an understanding of physical systems at foundational scales. Solving the Schr\"odinger equation provides full knowledge of all dynamical quantities of the physical system. However…

Quantum Physics · Physics 2020-11-24 Cesar Lema , Anna Choromanska

Recently, artificial intelligence for science has made significant inroads into various fields of natural science research. In the field of quantum many-body computation, researchers have developed numerous ground state solvers based on…

Strongly Correlated Electrons · Physics 2026-02-26 Jia-Qi Wang , Rong-Qiang He , Zhong-Yi Lu

The natural gradient is central in neural quantum states optimizations but it is limited by the cost of computing and inverting the quantum geometric tensor, the quantum analogue of the Fisher information matrix. We introduce a…

Quantum Physics · Physics 2025-11-05 Ahmedeo Shokry , Alessandro Santini , Filippo Vicentini

Neural quantum states (NQS) are a promising approach to study many-body quantum physics. However, they face a major challenge when applied to lattice models: Convolutional networks struggle to converge to ground states with a nontrivial…

Strongly Correlated Electrons · Physics 2020-07-31 Attila Szabó , Claudio Castelnovo

Quantum algorithms on the noisy intermediate-scale quantum (NISQ) devices are expected to simulate quantum systems that are classically intractable to demonstrate quantum advantages. However, the non-negligible gate error on the NISQ…

Quantum Physics · Physics 2021-12-06 Joseph C. Aulicino , Trevor Keen , Bo Peng

We introduce a variational wavefunction for many-body ground states that involves imaginary time evolution with two different Hamiltonians in an alternating fashion with variable time intervals. We successfully apply the ansatz on the one-…

Strongly Correlated Electrons · Physics 2019-09-25 Matthew J. S. Beach , Roger G. Melko , Tarun Grover , Timothy H. Hsieh

Tensor network algorithms can efficiently simulate complex quantum many-body systems by utilizing knowledge of their structure and entanglement. These methodologies have been adapted recently for solving the Navier-Stokes equations, which…

Non-Markovian quantum state diffusion provides a wavefunction-based framework for modeling open quantum systems. In this work, we introduce a novel machine learning approach based on an operator construction algorithm. This algorithm…

Quantum Physics · Physics 2025-09-03 Jiaji Zhang , Carlos L. Benavides-Riveros , Lipeng Chen

The recently developed Projective Quantum Eigensolver (PQE) has been demonstrated as an elegant methodology to compute the ground state energy of molecular systems in Noisy Intermdiate Scale Quantum (NISQ) devices. The iterative…

Quantum Physics · Physics 2023-03-21 Sonaldeep Halder , Chayan Patra , Dibyendu Mondal , Rahul Maitra
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