Sunday, November 20, 2011
I am a currently a Graduate student at UCSD in the McCammon research group.
My research interests include: the development of computational methods to efficiently explore the complex landscape of biomolecules and the application of new computational tools to biological and biochemical problems. These efforts have involved modifying and re-engineering components of large scientific codes such as Amber, CPMD, Gromacs, and NAMD. Parallel computing, inherent in these codes, is essential for exploring larger systems, such as the nucleosome core particle or the tetrameric Protein Kinase A system. However, we also seek to examine dynamics on longer time scales. Such demands have led to the development of various biased molecular dynamics methods, namely, accelerated molecular dynamics. My current efforts are focused on coupling accelerated molecular dynamics with the parallel power of the Graphics Processor Unit.