Predicting refractive index of inorganic compounds using machine learning.

ABSTRACT: Refractive index (RI) is one of the most important optical properties of materials. Due to the high importance of this physical parameter, there has always been a demand to find a method that provides the most optimal estimation. In this research, we utilize experimentally measured RI values of 272 inorganic compounds to build a machine learning model capable of predicting the RI of materials with low computational cost. Considering the significant relationship between the band gap and RI, we select this parameter as a predictor. In addition to the band gap, the atomic properties related to the building elements of the compounds form our data set in this work. To find the most optimal model and set of suitable predictors, we examine our data in four categories with 1, 5, 10, and 21 feature

SUBMITTER: Einabadi E 

PROVIDER: S-EPMC11480490 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature