OpenMM: A Hardware Independent Framework for Molecular Simulations

Peter Eastman; Vijay S Pande

doi:10.1109/MCSE.2010.27

OpenMM: A Hardware Independent Framework for Molecular Simulations

Comput Sci Eng. 2015 Jul 1;12(4):34-39. doi: 10.1109/MCSE.2010.27.

Authors

Peter Eastman¹, Vijay S Pande²

Affiliations

¹ Department of Bioengineering, Stanford University, Stanford, CA 94305.
² Department of Chemistry, Stanford University, Stanford, CA 94305.

Abstract

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

Keywords: Abstraction Layer; Graphics Processing Unit; Molecular Simulation.

Grants and funding

U54 GM072970/GM/NIGMS NIH HHS/United States