Data-Driven Techniques to Predict Formation Energy of Binary Materials

ORAL

Abstract

In this project the goal was to develop a machine learning model to predict the thermodynamic stability of a material material given simple atom properties. Descriptors for the model were created using the Mendeleev package on data from the AFLOW materials database. The resulting model achieved approximately a .66 accuracy score using a Random Forest regression model.

*Rensselaer Polytechnic Institute, National Science Foundation

Authors

  • Johari Dramiga

    • Texas Lutheran University