Uncertainty Prediction for Machine Learning Models of Material Properties. - Francesca Tavazza; Brian DeCost; Kamal Choudhary (CoRR, 2021)

Predicting Lattice Phonon Vibrational Frequencies Using Deep Graph Neural Networks. - Nghia Nguyen; Steph-Yves M. Louis; Lai Wei 008; Kamal Choudhary; Ming Hu; Jianjun Hu (CoRR, 2021)

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 (CoRR, 2022)

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon. - Kevin Maik Jablonka; Qianxiang Ai; Alexander Al-Feghali; Shruti Badhwar; Joshua D. Bocarsly; Andres M. Bran; Stefan Bringuier; L. Catherine Brinson; Kamal Choudhary; Defne Circi; Sam Cox; Wibe A. de Jong; et al. (CoRR, 2023)

Interpretable Ensemble Learning for Materials Property Prediction with Classical Interatomic Potentials: Carbon as an Example. - Xinyu Jiang; Haofan Sun; Kamal Choudhary; Houlong Zhuang; Qiong Nian (CoRR, 2023)

Approaches for Uncertainty Quantification of AI-predicted Material Properties: A Comparison. - Francesca Tavazza; Kamal Choudhary; Brian DeCost (CoRR, 2023)

AtomVision: A Machine Vision Library for Atomistic Images. - Kamal Choudhary; Ramya Gurunathan; Brian DeCost; Adam J. Biacchi (J. Chem. Inf. Model., 2023)

MPpredictor: An Artificial Intelligence-Driven Web Tool for Composition-Based Material Property Prediction. - Vishu Gupta; Kamal Choudhary; Yuwei Mao; Kewei Wang 002; Francesca Tavazza; Carelyn Campbell; Wei-keng Liao; Alok N. Choudhary; Ankit Agrawal 001 (J. Chem. Inf. Model., 2023)

A practical guide to machine learning interatomic potentials - Status and future. - Ryan Jacobs; Dane Morgan; Siamak Attarian; Jun Meng; Chen Shen; Zhenghao Wu; Clare Yijia Xie; Julia H. Yang; Nongnuch Artrith; Ben Blaiszik; Gerbrand Ceder; Kamal Choudhary; et al. (CoRR, 2025)

ParquetDB: A Lightweight Python Parquet-Based Database. - Logan Lang; Eduardo Hernández; Kamal Choudhary; Aldo H. Romero (J. Open Source Softw., 2025)