GPU Applications

Computational Chemistry

NVIDIA® Tesla® GPU Accelerators enable computational chemistry and biology researchers to push the boundaries of discovery. Compared to CPUs, GPUs run common molecular dynamics, quantum chemistry, visualization, and docking applications more than 5 times faster.

Why GPUs for Computational Chemistry:

  • Gain deeper insights by running larger systems, more systems or longer simulation timeframes.
  • Replace several CPU cluster nodes with single GPU node.
  • Access supercomputer scale performance without waiting for shared resources.
  • Cost effective with higher simulation performance per dollar and per watt.

With the introduction of NVIDIA Tesla Bio Workbench, it provides bio-physicists and computational chemists the tools to push the boundaries of bio-chemical research, optimizing the scientific workflow and accelerating the pace of research. Learn more.

Hear from lead application developers why they chose to develop on GPUs:

Video: John Stone, Senior Research Programmer at University of Illinois, VMD developer. <3:28>

Video: Erik Lindahl, Professor of Biophysics at Stockholm University, GROMACS developer. <3:24>

Video: Thomas Cheatham, Processor of Medicinal Chemistry and Director of Research Computing, University of Utah. <2:24>



GPU Accelerated Computational Chemistry Applications
>  Molecular Dynamics
>  Quantum Chemistry
>  Visualization and Docking

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Additional Resources
>  What is GPU Computing?
>  Bioinfomatics
>  Medical Imaging
>  Where to Buy