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  1. An O(logN) Monte Carlo method for periodic Coulomb systems

    Publication
    Efficient Monte Carlo (MC) sampling of many-body systems with long-range electrostatics is often limited by the cost of per-move energy-difference evaluation under periodic boundary …

  2. An O(N) quasi-Ewald splitting method for nanoconfined electrostatics

    Publication
    Simulating the dynamics of charged particles in quasi-two-dimensional (quasi-2D) nanoconfined systems presents a significant computational challenge due to the long-range nature of electrostatic interactions …

  3. A fast spectral sum-of-Gaussians method for electrostatic summation in quasi-2D systems

    Publication
    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-of …

  4. Accurate Error Estimates and Optimal Parameter Selection in Ewald Summation for Dielectrically Confined Coulomb SystemsClick to copy article link

    Publication
    Dielectrically confined Coulomb systems are widely employed in molecular dynamics (MD) simulations. Despite extensive efforts in developing efficient and accurate algorithms for these systems, rigorous and accurate error …

  5. Random Batch Ewald Method for Dielectrically Confined Coulomb Systems

    Publication
    Quasi two-dimensional (quasi-2D) Coulomb systems have drawn widespread interest. The reduced symmetry of these systems leads to complex collective behaviors yet simultaneously poses significant challenges for …

  6. Fast algorithm for quasi-2D Coulomb systems

    Publication
    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 behaviors, but also …