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Accelerator-based look-up table for coarse-grained molecular dynamics computations

Molecular Dynamics (MD) is a simulation technique widely used by computational chemists and biologists to simulate and observe the physical properties of a system of particles or molecules. The method provides invaluable three-dimensional structural and transport property data for macromolecules tha...

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Bibliographic Details
Main Author: Gangopadhyay, Ananya
Other Authors: Naidoo, Kevin J.
Format: Thesis
Language:English
Published: Department of Chemistry 2019
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