Title: LAMMPS implementation of the Multilevel Summation Method (MSM) for long-range electrostatics calculations
Presenter: Stan Moore
Affiliation: Sandia National Laboratories
Abstract: We’ve released a multi-level summation (MSM) capability that gives LAMMPS users a powerful new tool for performing molecular simulations that require long-range electrostatics. The new code seems especially promising for molecular simulation on next-generation (exascale) hardware. MSM implementation details strongly affect performance. An overview of MSM and comparisons of MSM, PPPM, and Ewald for a few different systems will be given.