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. Many challenges arise from geometry (multi-scale, singular, unbounded, close-to-touching, etc), oscillatory solutions, and/or time-dependence. At CCM, we develop fast, accurate and robust high-order solvers for many of the equations of classical and modern physics, with application to fluid dynamics, geophysics, electromagnetics, acoustics, diffusion and transport, quantum mechanics, and plasma physics. This involves the free flow of ideas between analysis, algorithms, application details, and code development. We also release and maintain efficient and widely-used software libraries for fundamental tasks in scientific computing, signal processing, data analysis, and visualization.
Please visit our Numerical Analysis & Scientific Computing Lab Page for current details.
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
