2 papers
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
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…