Udit Gupta

Li, Q. ., Wittreich, G. ., Wang, Y. ., Bhattacharjee, H. ., Gupta, U. ., & Vlachos, D. . G. (2021). Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning. ACS Sustainable Chemistry & Engineering, 9, 3043-3049. https://doi.org/10.1021/acssuschemeng.0c08856 (Original work published 2025)

Gupta, U. ., & Vlachos, D. . G. (2021). Learning Chemistry of Complex Reaction Systems via a Python First-Principles Reaction Rule Stencil (pReSt) Generator. Journal of Chemical Information and Modeling, 61. https://doi.org/10.1021/acs.jcim.1c00297

Gupta, U. ., & Vlachos, D. . G. (2020). Reaction Network Viewer (ReNView): An open-source framework for reaction path visualization of chemical reaction systems. SoftwareX, 11, 100442. https://doi.org/10.1016/j.softx.2020.100442 (Original work published 2025)