A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation. - Jonathan Lym; Gerhard R. Wittreich; Dionisios G. Vlachos (Comput. Phys. Commun., 2020)

Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software. - Xue Zong; Jonathan Lym; Dionisios G. Vlachos (Comput. Phys. Commun., 2023)