## Introduction

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

## Relevant Papers

Roughly by target platform
- [Serial](https://www.cs.purdue.edu/puremd/docs/80859.pdf)
- [MPI (message passing interface)](https://www.cs.purdue.edu/puremd/docs/Parallel-Reactive-Molecular-Dynamics.pdf)
- [CUDA (single GPU)](http://dx.doi.org/10.1016/j.jcp.2014.04.035) (single GPU)
- [CUDA+MPI (multi-GPU)](https://www.cs.purdue.edu/puremd/docs/pgpuremd.pdf)