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We have trained a deep (convolutional) neural network to predict the ground-state energy of an electron in four classes of confining two-dimensional electrostatic potentials. On randomly generated potentials, for which there is no analytic…

Materials Science · Physics 2017-11-06 Kyle Mills , Michael Spanner , Isaac Tamblyn

In this work we approach the Schr\"odinger equation in quantum wells with arbitrary potentials, using the machine learning technique. Two neural networks with different architectures are proposed and trained using a set of potentials,…

Computational Physics · Physics 2022-02-22 Adrian Radu , Carlos A. Duque

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

Robust control design for quantum systems is a challenging and key task for practical technology. In this work, we apply neural networks to learn the control problem for the semiclassical Schr\"odinger equation, where the control variable…

Numerical Analysis · Mathematics 2023-05-31 Yating Wang , Liu Liu

A particle confined to an impassable box is a paradigmatic and exactly solvable one-dimensional quantum system modeled by an infinite square well potential. Here we explore some of its infinitely many generalizations to two dimensions,…

Computational Physics · Physics 2023-02-06 Elliott G. Holliday , John F. Lindner , William L. Ditto

We apply the deep learning neural network architecture to the two-level system in quantum optics to solve the time-dependent Schrodinger equation. By carefully designing the network structure and tuning parameters, above 90 percent accuracy…

Quantum Physics · Physics 2022-06-08 Bin Yang , Mengxi Wu , Winfried Teizer

In this paper, we integrate neural networks and Gaussian wave packets to numerically solve the Schr\"odinger equation with a smooth potential near the semi-classical limit. Our focus is not only on accurately obtaining solutions when the…

Computational Physics · Physics 2025-09-08 Jizu Huang , Rukang You , Tao Zhou

We use machine learning techniques to solve the nuclear two-body bound state problem, the deuteron. We use a minimal one-layer, feed-forward neural network to represent the deuteron S- and D-state wavefunction in momentum space, and solve…

Nuclear Theory · Physics 2020-09-03 J. W. T. Keeble , A. Rios

Although the neural network (NN) technique plays an important role in machine learning, understanding the mechanism of NN models and the transparency of deep learning still require more basic research. In this study, we propose a novel…

Machine Learning · Computer Science 2023-11-10 Shuyue Guan , Murray Loew

We present a deep learning approach for computing multi-phase solutions to the semiclassical limit of the Schr\"odinger equation. Traditional methods require deriving a multi-phase ansatz to close the moment system of the Liouville…

Numerical Analysis · Mathematics 2025-04-14 Jin Woo Jang , Jae Yong Lee , Liu Liu , Zhenyi Zhu

The aim of this article is to analyze numerical schemes using two-layer neural networks withinfinite width for the resolution of high-dimensional Schr{\"o}dinger eigenvalue problems with smoothinteraction potentials and Neumann boundary…

Analysis of PDEs · Mathematics 2024-09-04 Mathias Dus , Ehrlacher Virginie

This paper analyzes the generalization error of two-layer neural networks for computing the ground state of the Schr\"odinger operator on a $d$-dimensional hypercube. We prove that the convergence rate of the generalization error is…

Numerical Analysis · Mathematics 2021-05-05 Jianfeng Lu , Yulong Lu

Physics-informed neural networks (PINN) have been widely used in computational physics to solve partial differential equations (PDEs). In this study, we propose an energy-embedding-based physics-informed neural network method for solving…

Computational Physics · Physics 2025-06-02 Yi-Qiang Wu , Xuan Liu , Hanlin Li , Fuqiang Wang

We develop a new method for solving two- and three-body bound state problems using unsupervised machine learning techniques. We use a deep neural network to calculate both simple and realistic potentials, obtaining the properties of the…

High Energy Physics - Phenomenology · Physics 2025-07-24 Ruitian Li , Xuan Luo , Hao Sun , Pablo G. Ortega

Deep neural network (DNN) and auto differentiation have been widely used in computational physics to solve variational problems. When DNN is used to represent the wave function to solve quantum many-body problems using variational…

Nuclear Theory · Physics 2023-04-26 Kai-Fang Pu , Hanlin Li , Hong-Liang Lu , Long-Gang Pang

We introduce a new family of trial wave-functions based on deep neural networks to solve the many-electron Schr\"odinger equation. The Pauli exclusion principle is dealt with explicitly to ensure that the trial wave-functions are physical.…

Computational Physics · Physics 2020-07-21 Jiequn Han , Linfeng Zhang , Weinan E

The Schrodinger equation for stationary states is studied in a central potential V(r) proportional to the inverse power of r of degree beta in an arbitrary number of spatial dimensions. The presence of a single term in the potential makes…

Quantum Physics · Physics 2007-05-23 Shi-Hai Dong , Zhong-Qi Ma , Giampiero Esposito

Can physical concepts and laws emerge in a neural network as it learns to predict the observation data of physical systems? As a benchmark and a proof-of-principle study of this possibility, here we show an introspective learning…

Disordered Systems and Neural Networks · Physics 2019-12-02 Ce Wang , Hui Zhai , Yi-Zhuang You

Accurate numerical solutions for the Schr\"odinger equation are of utmost importance in quantum chemistry. However, the computational cost of current high-accuracy methods scales poorly with the number of interacting particles. Combining…

Computational Physics · Physics 2021-12-21 Michael Scherbela , Rafael Reisenhofer , Leon Gerard , Philipp Marquetand , Philipp Grohs

We introduce the Schrodinger Neural Network (SNN), a principled architecture for conditional density estimation and uncertainty quantification inspired by quantum mechanics. The SNN maps each input to a normalized wave function on the…

Machine Learning · Computer Science 2025-10-28 M. M. Hammad
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