Fast Ewald Summation with Prolates for Charged Systems in the NPT Ensemble
We present an NPT extension of Ewald summation with prolates (ESP), a spectrally accurate and scalable particle-mesh method for molecular…
arxiv:2601.00161Numerical Analysis & Scientific Computing
The direct numerical simulation of many scientific processes remains impractical, even with modern supercomputers.
At CCM, we are developing fast, accurate and robust high-order solvers for many of the equations of classical and modern physics in complicated geometries, with application to fluid dynamics, electromagnetics, acoustics, heat transfer and diffusion, quantum mechanics, and plasma physics. We also build efficient and widely-used software libraries for fundamental tasks in scientific computing and data analysis.
We have a Scientific Computing Seminar. For information about other seminars and events at CCM, see here.
Research Highlights
Stabilizing the singularity swap quadrature for near-singular line integrals
David Krantz, A. Barnett, Anna-Karin Tornberg
Singularity swap quadrature (SSQ) is an effective method for the evaluation at nearby targets of potentials due to densities on…
arxiv:2509.23881Space-time adaptive methods for parabolic evolution equations
We present a family of integral equation-based solvers for the heat equation, reaction-diffusion systems, the unsteady Stokes equation and the…
arxiv:2511.18180
