15 citations · 38 across the 9 of their papers we have counts for
3 papers · 1 filter
Breaking the mold: overcoming the time constraints of molecular dynamics on general-purpose hardware
Danny Perez, Aidan Thompson, Stan Moore +11
The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved w…
Scalable Multilevel Monte Carlo Methods Exploiting Parallel Redistribution on Coarse Levels
Hillary R. Fairbanks, Delyan Z. Kalchev, Chak Shing Lee +1
We study an element agglomeration coarsening strategy that requires data redistribution at coarse levels when the number of coarse elements becomes smaller than the used computatio…
Breaking the Molecular Dynamics Timescale Barrier Using a Wafer-Scale System
Kylee Santos, Stan Moore, Tomas Oppelstrup +11
Molecular dynamics (MD) simulations have transformed our understanding of the nanoscale, driving breakthroughs in materials science, computational chemistry, and several other fiel…