Institution: Bates College
Proposed research ideas:
I am interested in working on method development for quantum mechanical simulations. I think it’s a natural extension of my current work on developing methods for classical molecular dynamics simulations. I can imagine collaborating with Lin Lin, Eric Neuscamman and the Computational Chemistry Group. I also hope that being in residence at the lab will enable me to have access to more computing resources. I am working on a periodic tree algorithm that I hope will scale better than particle mesh Ewald in parallel. Access to a large cluster will facilitate the work immensely. But as noted above, I am also interested in working on ongoing projects in different groups, be it in image processing, data analytics, machine learning or applied numerical algorithms.
My motivation is two-fold: 1) I want to provide my students with an focused research experience in high performance computing, the opportunity to interact with career scientists and to experience life at a national lab. 2) I want to expand my research field and possibly strike up new collaborations. I think spending time at the lab will go a long way towards these two goals.