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Browsing by Subject "Molecular dynamics"
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(2012-06-04)This project calculates the melting temperature as a function of pressure for a system defined by the Lennard-Jones 12-6 potential using molecular dynamic simulations. In a single atomistic simulation, the initial condi ...
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(1999-05-05)This thesis presents a study of applications and techniques for molecular dynamics simulations. Three studies are presented that are intended to improve our ability to simulate larger systems more realistically. A com ...
Now showing items 1-2 of 2
