OpenMM: A Hardware Abstraction Layer for Molecular Simulations.

P. Eastman and V. S. Pande.

Computing in Science and Engineering 12 34-39 (2010)

OpenMM is the key library which powers GPU computing in Folding@home. This paper discusses some key aspects of how OpenMM works.

The wide diversity of computer architectures today requires a new approach to software development. OpenMM is an abstraction layer for molecular mechanics simulations, allowing a single program to run efficiently on a variety of hardware platforms.