21 citations · 69 across the 19 of their papers we have counts for
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Fast Ewald Summation with Prolates for Charged Systems in the NPT Ensemble
Jiuyang Liang, Libin Lu, Shidong Jiang
We present an NPT extension of Ewald summation with prolates (ESP), a spectrally accurate and scalable particle-mesh method for molecular dynamics simulations of periodic, charged…
Accelerating Molecular Dynamics Simulations using Fast Ewald Summation with Prolates
Jiuyang Liang, Libin Lu, Alex Barnett +2
The evaluation of long-range Coulomb interactions is a significant cost in molecular dynamics (MD), even when using Particle Mesh Ewald (PME) or Particle-Particle-Particle-Mesh (PP…
Accurate Error Estimates and Optimal Parameter Selection in Ewald Summation for Dielectrically Confined Coulomb Systems
Xuanzhao Gao, Qi Zhou, Zecheng Gan +1
Dielectrically confined Coulomb systems are widely employed in molecular dynamics (MD) simulations. Despite extensive efforts in developing efficient and accurate algorithms for th…
A fast spectral sum-of-Gaussians method for electrostatic summation in quasi-2D systems
Xuanzhao Gao, Shidong Jiang, Jiuyang Liang +2
The quasi-2D electrostatic systems, characterized by periodicity in two dimensions with a free third dimension, have garnered significant interest in many fields. We apply the sum-…
Random Batch Ewald Method for Dielectrically Confined Coulomb Systems
Zecheng Gan, Xuanzhao Gao, Jiuyang Liang +1
Quasi two-dimensional Coulomb systems have drawn widespread interest. The reduced symmetry of these systems leads to complex collective behaviors, yet simultaneously poses signific…
Fast Algorithm for Quasi-2D Coulomb Systems
Zecheng Gan, Xuanzhao Gao, Jiuyang Liang +1
Quasi-2D Coulomb systems are of fundamental importance and have attracted much attention in many areas nowadays. Their reduced symmetry gives rise to interesting collective behavio…