Jonathan Lym

Lym, J. ., Wittreich, G. . R., & Vlachos, D. . G. (2020). A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation. Computer Physics Communications, 247, 106864. https://doi.org/10.1016/j.cpc.2019.106864 (Original work published 2025)

Zong, X. ., Lym, J. ., & Vlachos, D. . G. (2023). Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software. Computer Physics Communications, 290, 108754. https://doi.org/https://doi.org/10.1016/j.cpc.2023.108754 (Original work published 2025)