Zong, X. ., & Vlachos, D. . (2022). Exploring Structure-Sensitive Relations for Small Species Adsorption Using Machine Learning. Journal of Chemical Information and Modeling, 62, 4361-4368. https://doi.org/10.1021/acs.jcim.2c00872
Zong, X. ., & Vlachos, D. . G. (2023). Reconciling experimental catalytic data stemming from structure sensitivity. Chemical Science, 14, 4337-4345. https://doi.org/https://doi.org/10.1039/D2SC06819B
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)
Liu, Y. ., Zong, X. ., Patra, A. ., Caratzoulas, S. ., & Vlachos, D. . G. (2023). Propane Dehydrogenation on PtxSny (x, y ≤ 4) Clusters on Al2O3(110). ACS Catalysis, 13, 2802-2812. https://doi.org/https://doi.org/10.1021/acscatal.2c05671 (Original work published 2025)
Hsiao, Y. . W., Zong, X. ., Zhou, J. ., Zheng, W. ., & Vlachos, D. . G. (2022). Selective hydrodeoxygenation of 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF) over carbon supported copper catalysts using isopropyl alcohol as a hydrogen donor. Applied Catalysis B: Environmental, 317, 121790. https://doi.org/https://doi.org/10.1016/j.apcatb.2022.121790 (Original work published 2025)
