3 citations · 4 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2022★ 3 cited
Prediction of the electron density of states for crystalline compounds with Atomistic Line Graph Neural Networks (ALIGNN)
Prathik R Kaundinya, Kamal Choudhary, Surya R. Kalidindi
Machine learning (ML) based models have greatly enhanced the traditional materials discovery and design pipeline. Specifically, in recent years, surrogate ML models for material pr…
cond-mat.mtrl-sci2021★ 1 cited
Machine learning approaches for feature engineering of the crystal structure: Application to the prediction of the formation energy of cubic compounds
Prathik R. Kaundinya, Kamal Choudhary, Surya R. Kalidindi
In this study, we present a novel approach along with the needed computational strategies for efficient and scalable feature engineering of the crystal structure in compounds of di…