Slide 1 of 18
The work reported on here is the result of our working with the MSC over the past three years. There were some other smaller projects but the work reported on here represents the majority of the cooperative work.
Ersan Demiralp did most of the work on developing the MS-Q force field. He is back in Turkey now after finishing his post-doc. I have done most of the dogwork aimed at defining how we actually develop a simulated glass structure.
The ultimate goal of this work is aimed at a better atomic level understanding of glass surfaces and how they interact with a variety of molecules.