BYU

Abstract by Jeremy Jorgensen

Personal Infomation


Presenter's Name

Jeremy Jorgensen

Co-Presenters

None

Degree Level

Masters

Co-Authors

Gus Hart
Wiley Morgan

Abstract Infomation


Department

Physics and Astronomy

Faculty Advisor

Gus Hart

Title

Accelerating Materials Discovery

Abstract

Computational materials databases are the key to materials predictions. Calculating these databases is an expensive process that requires significant investments in computing resources. Most of the computing effort is exhausted converging two coupled, numerical integrals. We show that convergence of these integrals is an unpredictable process and that legacy techniques at improving convergence are ineffective. Advanced numerical techniques, adapted to this problem, have the potential to substantially decrease computation time.