Markos Katsoulakis

Wittreich, G. R., Gu, G. H., Robinson, D. J., Katsoulakis, M. A., & Vlachos, D. G. (2021). Uncertainty Quantification and Error Propagation in the Enthalpy and Entropy of Surface Reactions Arising from a Single DFT Functional. The Journal of Physical Chemistry C, 125, 18187-18196. https://doi.org/10.1021/acs.jpcc.1c04754 (Original work published 2025)

Feng, J., Lansford, J. L., Katsoulakis, M. A., & Vlachos, D. G. (2020). Explainable and trustworthy artificial intelligence for correctable modeling in chemical sciences. Science Advances, 6, 3204-3218. https://doi.org/10.1126/sciadv.abc3204 (Original work published 2025)