Molecular dynamics applications are extremely amenable to the massively parallel architecture of NVIDIA’s GPUs. In the charts below, we highlight work done on VMD and also molecular dynamics software packages such as NAMD and HOOMD.

Ion Placement in VMD Stone, Phillips, Hardy, Schulten	HOOMD on 1 NVIDIA GPU outperforms 16 CPU cores running LAMMPs Anderson, Lorenz, Travesset

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• Learn about GPU acceleration in VMD
• NAMD CUDA nightly builds available now
• HOOMD: Highly Optimized Object Oriented Molecular Dynamics
• MDGPU
• GPUGrid.net
• OpenMM library for accelerating molecular dynamics on GPUs
• GROMACS using OpenMM
• ACEMD Bio-molecular dynamics package
• AMBER CUDA Port
• BigDFT : DFT (Density functional theory) electronic structure code -- Paper PDF
• LAMMPS GPU Port

• CUDA Tutorial at Supercomputing ’08 for NAMD and VMD
• NAMD and VMD Publications
• An Implementation of the Smooth Particle-Mesh Ewald (PME) Method on GPU Hardware
• Accelerating AMBER molecular dynamic simulation on GPUs
• HOOMD
• Flourescence Microscopy
• Harvesting graphics power for MD simulations
• Folding @ home (running GROMACS)
• Ascalaph Liquid MD

• Computational Chemistry
• Medical Imaging
• Bio-informatics and Life Sciences
• MATLAB acceleration

• Tesla/CUDA Success stories
• Other Tesla Vertical Solutions
• CUDA Software development tools & libraries