相关论文: Schr\"{o}dingerNet: A Universal Neural Network Sol…

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…

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…

We present an improved version of the sum-of-Gaussians tensor neural network (SOG-TNN) architecture for solving many-electron Schr\"{o}dinger equation for one-dimensional soft-Coulomb systems. Model reduction techniques are introduced to…

We introduce \textbf{Schr\"{o}dinger AI}, a unified machine learning framework inspired by quantum mechanics. The system is defined by three tightly coupled components: (1) a {time-independent wave-energy solver} that treats perception and…

We develop a spacetime neural network method with second order optimization for solving quantum dynamics from the high dimensional Schr\"{o}dinger equation. In contrast to the standard iterative first order optimization and the…

Neural operators have emerged as powerful data-driven surrogates for learning solution operators of parametric partial differential equations (PDEs). However, widely used Fourier Neural Operators (FNOs) rely on global Fourier…

The accurate determination of electron properties is fundamental to low-temperature plasma simulations, necessitating precise solutions to the spatially inhomogeneous electron Boltzmann equation (EBE). This work explores the use of…

Given access to accurate solutions of the many-electron Schr\"odinger equation, nearly all chemistry could be derived from first principles. Exact wavefunctions of interesting chemical systems are out of reach because they are NP-hard to…

Solving the electronic Schr\"odinger equation for changing nuclear coordinates provides access to the Born-Oppenheimer potential energy surface. This surface is the key starting point for almost all theoretical studies of chemical processes…

This article presents an approach to the two-dimensional Schr\"odinger equation based on automatic learning methods with neural networks. It is intended to determine the ground state of a particle confined in any two-dimensional potential,…

In this paper, we propose Neumann Series Neural Operator (NSNO) to learn the solution operator of Helmholtz equation from inhomogeneity coefficients and source terms to solutions. Helmholtz equation is a crucial partial differential…

Recent neural network-based wave functions have achieved state-of-the-art accuracies in modeling ab-initio ground-state potential energy surface. However, these networks can only solve different spatial arrangements of the same set of…

We propose a novel dispersive regularization framework for the numerical simulation of the one-dimensional shallow water equations (SWE). The classical hyperbolic system is regularized by a third-order dispersive term in the momentum…

Deep neural networks (DNNs) have achieved exceptional performance across various fields by learning complex, nonlinear mappings from large-scale datasets. However, they face challenges such as high memory requirements and computational…

In this paper, we introduce a novel approach to solve the many-body Schrodinger equation by the tensor neural network. Based on the tensor product structure, we can do the direct numerical integration by using fixed quadrature points for…

There is a large variety of machine learning methodologies that are based on the extraction of spectral geometric information from data. However, the implementations of many of these methods often depend on traditional eigensolvers, which…

Many scientific and industrial applications require solving Partial Differential Equations (PDEs) to describe the physical phenomena of interest. Some examples can be found in the fields of aerodynamics, astrodynamics, combustion and many…

The nonlinear Schr\"odinger equation (NLSE) is a rich and versatile model, which in one spatial dimension has stationary solutions similar to those of the linear Schr\"odinger equation as well as more exotic solutions such as solitary waves…

Solving the wave equation is one of the most (if not the most) fundamental problems we face as we try to illuminate the Earth using recorded seismic data. The Helmholtz equation provides wavefield solutions that are dimensionally reduced,…

Neural Networks (NNs) can be used to solve Ordinary and Partial Differential Equations (ODEs and PDEs) by redefining the question as an optimization problem. The objective function to be optimized is the sum of the squares of the PDE to be…