4 papers
Spectral convergence of sum-of-Gaussians tensor neural networks for many-electron Schrödinger equation
Teng Wu, Qi Zhou, Huangjie Zheng +2
We present an improved version of the sum-of-Gaussians tensor neural network (SOG-TNN) architecture for solving many-electron Schrödinger equation for one-dimensional soft-Coulomb…
Sum-of-Gaussians tensor neural networks for high-dimensional Schrödinger equation
Qi Zhou, Teng Wu, Jianghao Liu +3
We propose an accurate, efficient, and low-memory sum-of-Gaussians tensor neural network (SOG-TNN) algorithm for solving the high-dimensional Schrödinger equation. The SOG-TNN uti…
Symmetry-preserving random batch Ewald method for constant-potential simulation of electrochemical systems
Weihang Gao, Qi Zhou, Qianru Zhang +1
Constant potential molecular dynamics simulation plays important role for applications of electrochemical systems, yet the calculation of charge fluctuation on electrodes remains a…
Weighted balanced truncation method for approximating kernel functions by exponentials
Yuanshen Lin, Zhenli Xu, Yusu Zhang +1
Kernel approximation with exponentials is useful in many problems with convolution quadrature and particle interactions such as integral-differential equations, molecular dynamics…