Applied math techniques in electronic structure calculations

Graduate/faculty Seminar

Kyle Thicke

Monday, April 3, 2017 -
12:00pm to 1:00pm
119 Physics

In this talk, I will use my recent project (a fast algorithm for calculating the energy of a many-body quantum system in the random phase approximation) as an outline to present two cool techniques in applied math and show their actual applications in the project. First, we'll see that the trapezoid rule you teach in Calculus, when applied to periodic functions, is far more impressive than you thought. We'll also get a taste of the surprisingly nice properties that come from combining matrix decompositions with randomized algorithms. Finally, as an added bonus, we'll see how Cauchy's integral formula can be used (in this project) to sum N^2 things in O(N) time.