Time scale decomposition in complex reaction systems: A graph theoretic analysis U Gupta, S Heo, A Bhan, P Daoutidis Computers & Chemical Engineering 95, 170-181, 2016 | 17 | 2016 |
Accurate thermochemistry of complex lignin structures via density functional theory, group additivity, and machine learning Q Li, G Wittreich, Y Wang, H Bhattacharjee, U Gupta, DG Vlachos ACS Sustainable Chemistry & Engineering 9 (8), 3043-3049, 2021 | 15 | 2021 |
Reaction Network Viewer (ReNView): An open-source framework for reaction path visualization of chemical reaction systems U Gupta, DG Vlachos SoftwareX 11, 100442, 2020 | 15 | 2020 |
Automated network generation and analysis of biochemical reaction pathways using RING U Gupta, T Le, WS Hu, A Bhan, P Daoutidis Metabolic engineering 49, 84-93, 2018 | 15 | 2018 |
Learning chemistry of complex reaction systems via a python first-principles Reaction rule Stencil (pReSt) generator U Gupta, DG Vlachos Journal of Chemical Information and Modeling 61 (7), 3431-3441, 2021 | 13 | 2021 |
An integrated platform for mucin‐type O‐glycosylation network generation and visualization T Le, C O’Brien, U Gupta, G Sousa, P Daoutidis, WS Hu Biotechnology and bioengineering 116 (6), 1341-1354, 2019 | 7 | 2019 |
Microkinetic Modeling of Complex Reaction Networks using Automated Network Generation U Gupta University of Minnesota, 2018 | 1 | 2018 |
Original publication Reaction Network Viewer (ReNView): An open-source framework for reaction path visualization of chemical reaction systems U Gupta, DG Vlachos SOFTWAREX 11, 2020 | | 2020 |
Reaction Software Ecosystem and Data Hub for Heterogeneous Catalysis J Lym, GR Wittreich, U Gupta, B Medasani, D Vlachos 2019 AIChE Annual Meeting, 2019 | | 2019 |
Expert System for Automated Reaction Mechanism Generation U Gupta, D Vlachos 2019 AIChE Annual Meeting, 2019 | | 2019 |
A GRAPH-THEORETIC FRAMEWORK FOR MODEL REDUCTION USING TIME-SCALE ANALYSIS OF COMPLEX REACTION NETWORKS U Gupta, A Bhan, P Daoutidis | | |