Posts by Andrey Alekseenko
Simulation / Modeling / Design
Jul 09, 2026
A Practical Guide to GPU-Initiated Communication for Molecular Dynamics at Scale
Molecular dynamics (MD) simulations are among the most demanding workloads in computational science. Using them, researchers can observe atomic behavior in...
21 MIN READ
Simulation / Modeling / Design
Dec 12, 2025
How to Scale Fast Fourier Transforms to Exascale on Modern NVIDIA GPU Architectures
Fast Fourier Transforms (FFTs) are widely used across scientific computing, from molecular dynamics and signal processing to computational fluid dynamics (CFD),...
8 MIN READ