Knowledge and Skills Statement
Some major chemical properties include flammability, toxicity, heat of combustion, pH value, rate of radioactive decay, and chemical stability.
Research
"Onwuli, Anthony, Ashish V. Hegde, Kevin V. T. Nguyen, Keith T. Butler, and Aron Walsh. "Element Similarity in High-Dimensional Materials Representations." Digital Discovery 2, no. 5 (2023): 1558-1564.doi:10.1039/D3DD00121K. "
Summary:
The atomic number alone is insufficient for training statistical machine learning models to describe and extract composition-structure-property relationships of the elements. Here, we assess the similarity and correlations contained within high-dimensional local and distributed representations of the chemical elements. These include known physical properties, crystal structure analysis, natural language processing, and deep learning models.