| Predicting the work function of 2D MXenes using machine-learning methods P Roy, L Rekhi, SW Koh, H Li, TS Choksi Journal of Physics: Energy 5 (3), 034005, 2023 | 28 | 2023 |
| Carbon Capture and Utilization by graphenes-path covered and ahead I Sreedhar, U Upadhyay, P Roy, SM Thodur, CM Patel Journal of Cleaner Production 284, 124712, 2021 | 27 | 2021 |
| Establishing Structure-Function Relationships in Low-Dimensional Mxenes Using Machine Learning T Choksi, P Roy, L Rekhi, H Li, SW Koh 2022 AIChE Annual Meeting, 2022 | 2 | 2022 |
| Earth-Abundant Manganese Nitride Catalysts for Mild-Condition Ammonia Synthesis W Qu, P Roy, C Wang, L Ma, F Bu, X Zhang, Z He, M Tsapatsis, ... ACS Catalysis 15, 4817-4823, 2024 | | 2024 |
| Navigating the Unknown: Efficiently Locating the Transition State of the Diels-Alder Reaction through Adaptively Sampled Point Clouds A Georgiou, B Munoz, P Roy, BC Bukowski, IG Kevrekidis 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Ab-Initio Design of Mild Temperature Ammonia Synthesis Catalysts Using Ni-Supported Metal Nitrides P Roy, BC Bukowski 2024 AIChE Annual Meeting, 2024 | | 2024 |
| First Principles Membrane Catalyst Co-Design for Low Temperature Ammonia Production P Roy, G Gupta, B Bukowski 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Predicting the Adhesion Energies and Sinter Resistance of Metal Films on Carbide and Nitride Supports L Rekhi, KM Yam, P Roy, T Choksi 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Prediction of Mxene 2D Material's Electronic Property Using Machine Learning Tools J Seo, T Choksi, P Roy 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Machine Learning Accelerated Interfacial Fluxionality in Ni-Supported Metal Nitride Ammonia Synthesis Catalysts P Roy, BC Bukowski Available at SSRN 5168150, 0 | | |