Dissertation theses
Numerical methods for computer modeling of atomic nuclei
Symmetry-adapted no-core shell model (SA-NCSM) is a state-of-the-art method for ab-initio (from first principles) modeling of atomic nuclei. The principle of this model is based on computation of nuclear wave functions in the form of eigenvectors of matrix operators relevant to a given nucleus. In the current implementation of this model, elements of these matrix operators are explicitly stored in a computer memory. This limits its applicability to only relatively light nuclei, even when the largest contemporary existing supercomputers are utilized. The goal of this dissertation thesis topic is to research and develop suitable parallel and scalable numerical algorithms and corresponding data structures that would enable “on-the-fly” computation of matrix operators in SA-NCSM calculations. Specific research of interest is the development and implementation of scalable parallel algorithms for finding extremal eigenvalues and corresponding eigenvectors of large sparse symmetric matrices.