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Efficient ways to prepare fermionic ground states on quantum computers are in high demand and different techniques have been developed over the last years. Despite having a vast set of methods, it is still unclear which method performs well…

Quantum Physics · Physics 2024-03-19 Jakob S. Kottmann , Francesco Scala

In this paper we design and use two Deep Learning models to generate the ground and excited wavefunctions of different Hamiltonians suitable for the study the vibrations of molecular systems. The generated neural networks are trained with…

Chemical Physics · Physics 2021-11-24 Laia Domingo , Florentino Borondo

We present an overview of the method of Neural Quantum States applied to the many-body problem of atomic nuclei. Through the lens of group representation theory, we focus on the problem of constructing neural-network ans\"atze that respect…

Nuclear Theory · Physics 2024-11-19 J. Rozalén Sarmiento , A. Rios

Neural network parametrizations have increasingly been used to represent the ground and excited states in variational Monte Carlo (VMC) with promising results. However, traditional VMC methods only optimize the wave function in regions of…

Computational Physics · Physics 2025-07-03 Huan Zhang , Robert J. Webber , Michael Lindsey , Timothy C. Berkelbach , Jonathan Weare

Deep neural networks can represent very different sorts of functions, including complex quantum many-body states. Tensor networks can also represent these states, have more structure and are easier to optimize. However, they can be…

Strongly Correlated Electrons · Physics 2026-04-22 Miha Srdinšek , Xavier Waintal

In this paper, by mapping datasets to a set of non-linear coherent states, the process of encoding inputs in quantum states as a non-linear feature map is re-interpreted. As a result of this fact that the Radial Basis Function is recovered…

Quantum Physics · Physics 2020-07-17 Prayag Tiwari , Shahram Dehdashti , Abdul Karim Obeid , Massimo Melucci , Peter Bruza

We develop a non-Gaussian variational approach that enables us to study both equilibrium and far-from-equilibrium physics of the two-dimensional Fermi polaron. This method provides an unbiased analysis of the polaron-to-molecule phase…

Quantum Gases · Physics 2026-05-01 Yi-Fan Qu , Pavel E. Dolgirev , Eugene Demler , Tao Shi

This chapter introduces the main ideas and the most important methods for representing the electronic wavefunction through machine learning models. The wavefunction of a N-electron system is an incredibly complicated mathematical object,…

Chemical Physics · Physics 2024-04-30 Stefano Battaglia

The strongly correlated fermions play a vital role in modern physics. For a given fermionic Hamiltonian system, the most widely used approach to explore the underlying physics is to study the wave function that incorporates Fermi-Dirac…

Strongly Correlated Electrons · Physics 2026-04-08 Jian-Gang Kong , Zhi Yuan Xie

Single-component ultracold atomic Fermi gases are usually described using noninteracting many-fermion models. However, recent experiments reached a regime where $p$-wave interactions among identical fermionic atoms are important. In this…

Quantum Gases · Physics 2023-05-09 Gianluca Bertaina , Marco G. Tarallo , Sebastiano Pilati

We propose Cormorant, a rotationally covariant neural network architecture for learning the behavior and properties of complex many-body physical systems. We apply these networks to molecular systems with two goals: learning atomic…

Computational Physics · Physics 2019-11-27 Brandon Anderson , Truong-Son Hy , Risi Kondor

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

We use a Jastrow-Slater wave function with an elliptical Fermi sea to describe the nematic state of the two-dimensional electron gas in a magnetic field and the Monte Carlo method to calculate a variational energy upper bound. These energy…

Mesoscale and Nanoscale Physics · Physics 2008-08-18 Quoc M. Doan , Efstratios Manousakis

Solving the Schr\"{o}dinger equation for interacting many-body quantum systems faces computational challenges due to exponential scaling with system size. This complexity limits the study of important phenomena in materials science and…

Materials Science · Physics 2024-05-27 Avishek Singh , Nirmal Ganguli

Differential equations are used to model and predict the behaviour of complex systems in a wide range of fields, and the ability to solve them is an important asset for understanding and predicting the behaviour of these systems.…

Machine Learning · Computer Science 2023-01-31 Siddharth Nand , Yuecheng Cai

We consider solving complex spatiotemporal dynamical systems governed by partial differential equations (PDEs) using frequency domain-based discrete learning approaches, such as Fourier neural operators. Despite their widespread use for…

Machine Learning · Computer Science 2024-07-17 Qingsong Xu , Nils Thuerey , Yilei Shi , Jonathan Bamber , Chaojun Ouyang , Xiao Xiang Zhu

The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships.…

Computational Physics · Physics 2024-08-29 Fanjie Xu , Wentao Guo , Feng Wang , Lin Yao , Hongshuai Wang , Fujie Tang , Zhifeng Gao , Linfeng Zhang , Weinan E , Zhong-Qun Tian , Jun Cheng

We conduct experimental simulations of many body quantum systems using a \emph{hybrid} classical-quantum algorithm. In our setup, the wave function of the transverse field quantum Ising model is represented by a restricted Boltzmann…

Quantum Physics · Physics 2018-12-05 Bartłomiej Gardas , Marek M. Rams , Jacek Dziarmaga

The architecture of a neural network and the selection of its activation function are both fundamental to its performance. Equally vital is ensuring these two elements are well-matched, as their alignment is key to achieving effective…

Machine Learning · Computer Science 2025-06-25 Shijun Zhang , Hongkai Zhao , Yimin Zhong , Haomin Zhou

We employ machine learning techniques to provide accurate variational wavefunctions for matrix quantum mechanics, with multiple bosonic and fermionic matrices. Variational quantum Monte Carlo is implemented with deep generative flows to…

High Energy Physics - Theory · Physics 2020-04-01 Xizhi Han , Sean A. Hartnoll