StatMechGlass: Python based software for composition-structure prediction in oxide glasses using statistical mechanics. - Mikkel S. Bødker; Collin J. Wilkinson; John C. Mauro; Morten M. Smedskjaer (SoftwareX, 2022)

EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations. - Vaibhav Bihani; Utkarsh Pratiush; Sajid Mannan; Tao Du; Zhimin Chen; Santiago Miret; Matthieu Micoulaut; Morten M. Smedskjaer; Sayan Ranu; N. M. Anoop Krishnan (CoRR, 2023)

Autonomous Microscopy Experiments through Large Language Model Agents. - Indrajeet Mandal; Jitendra Soni; Mohd Zaki; Morten M. Smedskjaer; Katrin Wondraczek; Lothar Wondraczek; Nitya Nand Gosvami; N. M. Anoop Krishnan (CoRR, 2025)