(72a) GPGPU Vs Free Volume: Using Graphics Hardware to Define, Characterize, and Visualize Negative Space In Polymers | AIChE

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(72a) GPGPU Vs Free Volume: Using Graphics Hardware to Define, Characterize, and Visualize Negative Space In Polymers

Authors 

Willmore, F. T. - Presenter, National Institute of Standards and Technology
Simmons, D. S. - Presenter, National Institute of Standards and Technology
Douglas, J. - Presenter, NIST


GPUs provide a tool for the efficient decomposition of spatial domains in  a variety of applications.  The highly parallel computational nature of this tool allows for the efficient computation of energy functionals that can be used for the characterization of unoccupied or ‘free’ space in materials as it relates to the permeability and transport properties of materials used in the preservation of proteins and other Soft Materials of interest to NIST Polymers Division.

Topics 

Thermodynamics

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