Fast algorithm for quasi-2D Coulomb systems

Zecheng Gan, Xuanzhao Gao, Jiuyang Liang, Zhenli Xu

Abstract: Highlights•A novel algorithm framework for quasi-2D Coulomb systems using SOE kernel approximation and random batch sampling.•Linear complexity with small prefactor; handles quasi-2D anisotropy efficiently.•2∼3 orders faster than Ewald2D, enabling molecular dynamics (MD) simulations with up to 106 particles on a single core.•Mesh-free method, extendable to other lattice kernel summations with broad scientific applications.