Daniel S. Karls
Research Associate, Aerospace Engineering and Mechanics
University of Minnesota
Dr. Karls is responsible for the development of infrastructure, content, and machine learning tools within the KIM framework. He completed his Ph.D. at the University of Minnesota with Profs. Ryan Elliott and Ellad Tadmor investigating the concept of transferability of empirical potentials. His dissertation, available online here, explores an abstract framework for categorizing interatomic potentials in terms of both the representations they use to describe atomic configurations, as well as their overall means of computing forces and energies using these representations. Under this framework, a method known as the Regression Algorithm for Transferability Estimation (RATE) is devised which permits the quantitative assessment of the transferability of an empirical potential based on prior observations of its accuracy.