CAM Seminar

February 14, 2018

Agnieszka Miedlar, University of Kansas

Title: FEAST Algorithm and Flexible Krylov-type Eigensolvers

Abstract: Abstract: Determining excited states in quantum physics or calculating the number of valence electrons in the Density Functional Theory (DFT) involve solving eigenvalue problems of very large dimensions. Moreover, very often the interesting features of these complex systems go beyond information contained in the extreme eigenpairs. For this reason, it is important to consider iterative solvers developed to compute a large amount of eigenpairs in the middle of the spectrum of large Hermitian and non-Hermitian matrices. In this talk, we present newly developed Krylov-type methods and compare them with the well-established techniques in electronic structure calculations. We demonstrate their efficiency and robustness through some numerical examples. This is a joint work with Yousef Saad (University of Minnesota).

CAM Seminar Spring 2018