OpenMM: A Hardware-Independent Framework for Molecular Simulations

2010/02/12 by Peter Eastman, Vijay S. Pande · 1 citation
Computer Science · Biochemistry, Genetics and Molecular Biology · #Parallel Computing and Optimization Techniques #Distributed and Parallel Computing Systems #Protein Structure and Dynamics #Computer science #Variety (cybernetics) #Software #Computational science #Supercomputer #Software framework #Computer architecture #Parallel computing #Software development #Distributed computing #Component-based software engineering #Programming language #Artificial intelligence

paper · doi:10.1109/mcse.2010.27

openalex publication_date 2010/02/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01

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.

Citations

• Accelerating molecular dynamic simulation on graphics processing units
• Harvesting graphics power for MD simulations

Cited by

• Folding@home [wikipedia]

Related

• OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
• Project For Advancement of Software Usability in Materials Science
• OpenMM-Python-Force: Deploying Accelerated Python Modules in Molecular Dynamics Simulation
• ACEMD: Accelerating bio-molecular dynamics in the microsecond time-scale
• FOSS solution for Molecular Dynamics Simulation Automation and Collaboration with MDSGAT