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Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is…

Quantum Physics · Physics 2024-06-07 Shu Kanno , Hajime Nakamura , Takao Kobayashi , Shigeki Gocho , Miho Hatanaka , Naoki Yamamoto , Qi Gao

We extend correlated sampling from classical auxiliary-field quantum Monte Carlo to the quantum-classical (QC-AFQMC) framework, enabling accurate nuclear force computations crucial for geometry optimization and reaction dynamics. Stochastic…

Recently, quantum convolutional neural networks (QCNNs) are proposed, harnessing the power of quantum computing for faster training compared to the classical counterparts. However, this framework for deep learning also relies on multiple…

Quantum Physics · Physics 2024-12-12 Yifan Sun , Xiangdong Zhang

Neural quantum states (NQS) have emerged as a powerful ansatz for variational quantum Monte Carlo studies of strongly-correlated systems. Here, we apply recurrent neural networks (RNNs) and autoregressive transformer neural networks to the…

Neural quantum states have established themselves as a powerful and versatile family of ansatzes for variational Monte Carlo simulations of quantum many-body systems. Of particular prominence are autoregressive neural quantum states (ANQS),…

Quantum Physics · Physics 2023-10-09 Aleksei Malyshev , Juan Miguel Arrazola , A. I. Lvovsky

Solving the ground state of quantum many-body systems remains a fundamental challenge in physics and chemistry. Recent advancements in quantum hardware have opened new avenues for addressing this challenge. Inspired by the quantum-enhanced…

Quantum Physics · Physics 2025-06-10 Longfei Chang , Zhendong Li , Wei-Hai Fang

Neural networks are a promising tool for simulating quantum many body systems. Recently, it has been shown that neural network-based models describe quantum many body systems more accurately when they are constrained to have the correct…

Quantum Physics · Physics 2021-06-01 Christopher Roth , Allan H. MacDonald

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) have emerged as powerful tools for simulating many-body quantum systems, but their practical use is often hindered by limitations of current sampling techniques. Markov chain Monte Carlo (MCMC) methods suffer…

Quantum Physics · Physics 2025-11-06 Eimantas Ledinauskas , Egidijus Anisimovas

We introduce two kinds of quantum algorithms to explore microcanonical and canonical properties of many-body systems. The first one is a hybrid quantum algorithm that, given an efficiently preparable state, computes expectation values in a…

Quantum Physics · Physics 2021-05-19 Sirui Lu , Mari Carmen Bañuls , J. Ignacio Cirac

Rydberg atom arrays are programmable quantum simulators capable of preparing interacting qubit systems in a variety of quantum states. Due to long experimental preparation times, obtaining projective measurement data can be relatively slow…

Quantum Physics · Physics 2022-05-11 Stefanie Czischek , M. Schuyler Moss , Matthew Radzihovsky , Ejaaz Merali , Roger G. Melko

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

We apply the variational Monte Carlo method based on neural network quantum states, using a neural autoregressive flow architecture as our ansatz, to determine the ground state wave function of the bosonic SU($N$) Yang-Mills-type two-matrix…

High Energy Physics - Theory · Physics 2025-08-19 Norbert Bodendorfer , Onur Oktay , Vaibhav Gautam , Masanori Hanada , Enrico Rinaldi

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

We introduce a quantum Monte Carlo inspired reweighting scheme to accurately compute energies from optimally short quantum circuits. This effectively hybrid quantum-classical approach features both entanglement provided by a short quantum…

Quantum Physics · Physics 2019-10-07 Guglielmo Mazzola , Pauline Ollitrault , Panagiotis Barkoutsos , Ivano Tavernelli

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…

Quantum Physics · Physics 2020-08-26 William J. Huggins , Joonho Lee , Unpil Baek , Bryan O'Gorman , K. Birgitta Whaley

There has been significant recent interest in quantum neural networks (QNNs), along with their applications in diverse domains. Current solutions for QNNs pose significant challenges concerning their scalability, ensuring that the…

Quantum Physics · Physics 2022-03-24 Mohsen Heidari , Ananth Grama , Wojciech Szpankowski

Neural quantum states (NQS) are a promising ansatz for solving many-body quantum problems due to their inherent expressiveness. Yet, this expressiveness can only be harnessed efficiently for treating identical particles if the suitable…

Chemical Physics · Physics 2026-04-24 Lexin Ding , Markus Reiher

Neural quantum states (NQSs) are powerful variational ans\"atze capable of representing highly entangled quantum many-body wavefunctions. While the average entanglement properties of ensembles of restricted Boltzmann machines are well…

Quantum Physics · Physics 2026-02-11 Andrew Jreissaty , Hang Zhang , Jairo C. Quijano , Juan Carrasquilla , Roeland Wiersema

The construction of trial wave functions based on neural networks combined with the variational Monte Carlo method is discussed. The mathematical formulation for representing quantum states as artificial neural networks is introduced. The…

Computational Physics · Physics 2026-05-19 William Freitas