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7 papers
An Adaptive Fast Algorithm for Periodic Coulomb Lattice Sums in Arbitrary Unit Cells
Xuanzhao Gao, Leslie Greengard, Shidong Jiang
We present a fast algorithm for evaluating conditionally convergent Coulomb lattice sums, governed by the Laplace equation with periodic boundary conditions on arbitrary unit cells…
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…
A spectral method for the rapid evaluation of hyperbolic potentials in two dimensions using windowed Fourier projection
Nour G. Al Hassanieh, Leslie Greengard, Alex H. Barnett
We present a fast algorithm for evaluating the (non-smooth) solution of the free-space two-dimensional (2D) scalar wave equation with many point sources, each with a high-frequency…
Interpolative separable density fitting on adaptive real space grids
Hai Zhu, Chia-Nan Yeh, Miguel A. Morales +3
We generalize the interpolative separable density fitting (ISDF) method, used for compressing the four-index electron repulsion integral (ERI) tensor, to incorporate adaptive real…
Space-time adaptive methods for parabolic evolution equations
Jun Wang, Jie Su, Leslie Greengard +2
We present a family of integral equation-based solvers for the heat equation, reaction-diffusion systems, the unsteady Stokes equation and the incompressible Navier-Stokes equation…
Fast summation of Stokes potentials using a new kernel-splitting in the DMK framework
Ludvig af Klinteberg, Leslie Greengard, Shidong Jiang +1
Classical Ewald methods for Coulomb and Stokes interactions rely on ``kernel-splitting," using decompositions based on Gaussians to divide the resulting potential into a near field…