Identifying models of dielectric breakdown strength from high-throughput data via genetic programming

Abstract

Abstract The identification of models capable of rapidly predicting material properties enables rapid screening of large numbers of materials and facilitates the design of new materials. One of the leading challenges for computational researchers is determining the best ways to analyze large material data sets to identify models that can rapidly predict a given property. In this paper, we demonstrate the use of genetic programming to generate simple models of dielectric breakdown based on 82 representative dielectric materials. We identified the band gap Eg and phonon cut-off frequency ωmax as the two most relevant features, and new classes of models featuring functions of Eg and ωmax were uncovered. The genetic programming approach was found to outperform other approaches for generating models, and we discuss some of the advantages of this approach.