README.md

Introduction

Files from the [Purdue Reactive Molecular Dynamics][https://www.cs.purdue.edu/puremd] (PuReMD) project.

Relevant Papers

Roughly by target platform

• [Single core][https://www.cs.purdue.edu/puremd/docs/80859.pdf] (serial)
• [Distributed memory][https://www.cs.purdue.edu/puremd/docs/Parallel-Reactive-Molecular-Dynamics.pdf] (message passing interface)
• [Massively multithreaded][http://dx.doi.org/10.1016/j.jcp.2014.04.035] (single GPU)
• [Massively multithreaded][https://www.cs.purdue.edu/puremd/docs/pgpuremd.pdf] (multi-GPU)