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The representation of a quantum wave function as a neural network quantum state (NQS) provides a powerful variational ansatz for finding the ground states of many-body quantum systems. Nevertheless, due to the complex variational landscape,…

Quantum Physics · Physics 2023-12-06 Eimantas Ledinauskas , Egidijus Anisimovas

Neural quantum states are a promising framework for simulating many-body quantum dynamics, as they can represent states with volume-law entanglement. As time evolves, the neural network parameters are typically optimized at discrete time…

Quantum Physics · Physics 2026-02-04 Dingzu Wang , Wenxuan Zhang , Xiansong Xu , Dario Poletti

Neural-network quantum states (NQS) are powerful neural-network ans\"atzes that have emerged as promising tools for studying quantum many-body physics through the lens of the variational principle. These architectures are known to be…

Disordered Systems and Neural Networks · Physics 2025-07-28 Jake McNaughton , Mohamed Hibat-Allah

Simulating the dynamics of many-body quantum systems is a significant challenge, especially in higher dimensions where entanglement grows rapidly. Neural quantum states (NQS) offer a promising tool for representing quantum wavefunctions,…

Quantum Physics · Physics 2024-12-17 Anka Van de Walle , Markus Schmitt , Annabelle Bohrdt

We propose a hybrid variational framework that enhances Neural Quantum States (NQS) with a Normalising Flow-based sampler to improve the expressivity and trainability of quantum many-body wavefunctions. Our approach decouples the sampling…

Quantum Physics · Physics 2025-06-17 Vishal S. Ngairangbam , Michael Spannowsky , Timur Sypchenko

As neural networks are known to efficiently represent classes of tensor-network states as well as volume-law-entangled states, identifying which properties determine the representational capabilities of neural quantum states (NQS) remains…

Nuclear Theory · Physics 2026-03-31 James W. T. Keeble , Alessandro Lovato , Caroline E. P. Robin

Neural quantum states (NQS) provide a flexible and highly expressive parameterization of wave functions for strongly correlated problems in quantum chemistry. Despite rapid advances in network architectures, the evaluation of electronic…

Chemical Physics · Physics 2026-02-16 Marco Julian Solanki , Lexin Ding , Markus Reiher

We study infinite limits of neural network quantum states ($\infty$-NNQS), which exhibit representation power through ensemble statistics, and also tractable gradient descent dynamics. Ensemble averages of Renyi entropies are expressed in…

Quantum Physics · Physics 2023-09-29 Di Luo , James Halverson

Capturing the dynamics of quantum many-body systems under time-dependent driving protocols is a central challenge for numerical simulations. Existing methods such as tensor networks and time-dependent neural quantum states, however, must be…

Quantum Physics · Physics 2026-03-27 Zihao Qi , Christopher Earls , Yang Peng

Electronic excited states of molecules are central to many physical and chemical processes, and yet they are typically more difficult to compute than ground states. In this paper we leverage the advantages of quantum computers to develop an…

Quantum Physics · Physics 2023-05-09 Yuchen Wang , David A. Mazziotti

Neural network quantum states (NQS) have emerged as a powerful and flexible framework for addressing quantum many-body problems. While successful for model Hamiltonians, their application to molecular systems remains challenging for several…

Chemical Physics · Physics 2025-07-28 Zibo Wu , Bohan Zhang , Wei-Hai Fang , Zhendong Li

Due to their immense representative power, neural network quantum states (NQS) have gained significant interest in current research. In recent advances in the field of NQS, it has been demonstrated that this approach can compete with…

Disordered Systems and Neural Networks · Physics 2024-10-21 Fabian Döschl , Felix A. Palm , Hannah Lange , Fabian Grusdt , Annabelle Bohrdt

Neural network quantum state (NNQS) has emerged as a promising candidate for quantum many-body problems, but its practical applications are often hindered by the high cost of sampling and local energy calculation. We develop a…

Quantum Physics · Physics 2023-11-02 Yangjun Wu , Chu Guo , Yi Fan , Pengyu Zhou , Honghui Shang

Owing to their great expressivity and versatility, neural networks have gained attention for simulating large two-dimensional quantum many-body systems. However, their expressivity comes with the cost of a challenging optimization due to…

Disordered Systems and Neural Networks · Physics 2025-03-26 Hannah Lange , Guillaume Bornet , Gabriel Emperauger , Cheng Chen , Thierry Lahaye , Stefan Kienle , Antoine Browaeys , Annabelle Bohrdt

The nonlinear Schr\"odinger equation (NLSE) is a fundamental model that describes diverse complex phenomena in nature. However, simulating the NLSE on a quantum computer is inherently challenging due to the presence of the nonlinear term.…

Quantum Physics · Physics 2026-02-17 Kaiwen Weng , Zhaoyuan Meng , Guohui Hu

We present proof-of-principle time-dependent neural quantum state (NQS) simulations to illustrate the ability of this approach to effectively capture key aspects of quantum dynamics in the continuum. NQS leverage the parameterization of the…

Quantum Physics · Physics 2025-09-30 Alejandro Romero-Ros , Javier Rozalén Sarmiento , Arnau Rios

We utilize neural network quantum states (NQS) to investigate the ground state properties of the Heisenberg model on a Shastry-Sutherland lattice using the variational Monte Carlo method. We show that already relatively simple NQSs can be…

Disordered Systems and Neural Networks · Physics 2024-02-07 Matěj Mezera , Jana Menšíková , Pavel Baláž , Martin Žonda

Solving the time-dependent Schr\"odinger equation (TDSE) is pivotal for modeling non-adiabatic electron dynamics, a key process in ultrafast spectroscopy and laser-matter interactions. However, exact solutions to the TDSE remain…

Chemical Physics · Physics 2025-12-29 Bizi Huang , Weizhong Fu , Ji Chen

Due to the exponential growth of the Hilbert space dimension with system size, the simulation of quantum many-body systems has remained a persistent challenge until today. Here, we review a relatively new class of variational states for the…

Disordered Systems and Neural Networks · Physics 2024-07-29 Hannah Lange , Anka Van de Walle , Atiye Abedinnia , Annabelle Bohrdt

The nonlinear Schr\"odinger equation (NLSE) is a fundamental model for wave dynamics in nonlinear media ranging from optical fibers to Bose-Einstein condensates. Accurately estimating its parameters, which are often strongly correlated,…

Quantum Physics · Physics 2025-09-24 Louis Rossignol , Tangui Aladjidi , Myrann Baker-Rasooli , Quentin Glorieux
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