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physics.comp-ph2025
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…
physics.comp-ph2025
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 util…
physics.comp-ph2025
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…