Curvature-informed multi-task learning for graph networks. - Alexander New; Michael J. Pekala; Nam Q. Le; Janna Domenico; Christine D. Piatko; Christopher D. Stiles (CoRR, 2022)

Long-Time Oxygen Localization in Electron Transfer Flavoprotein. - K. Michael Salerno; Janna Domenico; Nam Q. Le; Christopher D. Stiles; Ilia A. Solov'yov; Carlos F. Martino (J. Chem. Inf. Model., 2022)

Evaluating the diversity and utility of materials proposed by generative models. - Alexander New; Michael J. Pekala; Elizabeth A. Pogue; Nam Q. Le; Janna Domenico; Christine D. Piatko; Christopher D. Stiles (CoRR, 2023)

Long-Time Oxygen and Superoxide Localization in Arabidopsis thaliana Cryptochrome. - K. Michael Salerno; Janna Domenico; Nam Q. Le; Krithika Balakrishnan; Ryan J. McQuillen; Christopher D. Stiles; Ilia A. Solov'yov; Carlos F. Martino (J. Chem. Inf. Model., 2023)

Self-supervised learning for crystal property prediction via denoising. - Alexander New; Nam Q. Le; Michael J. Pekala; Christopher D. Stiles (CoRR, 2024)

Towards Large Language Models for Lunar Mission Planning and In Situ Resource Utilization. - Michael J. Pekala; Gregory Canal; Samuel Barham; Milena B. Graziano; Morgan Trexler; Leslie Hamilton; Elizabeth Reilly; Christopher D. Stiles (CoRR, 2025)