Novel Potentials for the Simulation of Polyethylene and other Polymeric Systems

To receive my degree in Materials Science and Engineering from MIT, I was required to produce an undergraduate thesis. At the time, I was primarily interested in structural materials and their physical properties. I had also devoted a moderate portion of my studies to the field of simulation, especially of atomistic systems.

As a culmination of my studies, I wrote some new code and developed a bunch of new parameters for simulating hydrocarbon polymer systems.

Documents