| RMG database for chemical property prediction MS Johnson, X Dong, A Grinberg Dana, Y Chung, D Farina Jr, RJ Gillis, ... Journal of Chemical Information and Modeling 62 (20), 4906-4915, 2022 | 80 | 2022 |
| Automated Reaction Kinetics and Network Exploration (Arkane): A Statistical Mechanics, Thermodynamics, Transition State Theory, and Master Equation Software AG Dana, M Johnson, J Allen, S Sharma, S Raman, M Liu, C Gao, ... International Journal of Chemical Kinetics 55, 300-323, 2023 | 34 | 2023 |
| Automatically Generated Model for Light Alkene Combustion G Pio, X Dong, E Salzano, WH Green Combustion and Flame 241, 2022 | 33 | 2022 |
| Revealing the critical role of radical-involved pathways in high temperature cyclopentanone pyrolysis X Dong, E Ninnemann, DS Ranasinghe, A Laich, R Greene, SS Vasu, ... Combustion and Flame 216, 280-292, 2020 | 28 | 2020 |
| ARC-automated rate calculator, version 1.1. 0 A Grinberg Dana, D Ranasinghe, H Wu, C Grambow, X Dong, M Johnson, ... Zenodo https://doi. org/10.5281/zenodo 3356849, 2019 | 16* | 2019 |
| Butyl Acetate Pyrolysis and Combustion Chemistry: Mechanism Generation and Shock Tube Experiments X Dong, G Pio, F Arafin, A Laich, J Baker, E Ninnemann, SS Vasu, ... The Journal of Physical Chemistry A, 2023 | 8 | 2023 |
| Detailed Multiphase Chemical Kinetic Model for Polymer Fouling in a Distillation Column HW Pang, M Forsuelo, X Dong, RE Hawtof, DS Ranasinghe, WH Green Industrial & Engineering Chemistry Research 62 (36), 14266-14285, 2023 | 7 | 2023 |
| Toward Accurate Quantum Mechanical Thermochemistry:(1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions H Wu, AM Payne, HW Pang, A Menon, CA Grambow, DS Ranasinghe, ... The Journal of Physical Chemistry A, 2024 | 5* | 2024 |
| Subgraph Isomorphic Decision Tree to Predict Radical Thermochemistry with Bounded Uncertainty Estimation HW Pang, X Dong, MS Johnson, WH Green The Journal of Physical Chemistry A 128 (14), 2891-2907, 2024 | 4 | 2024 |
| Oxygen Chemistry in Polymer Fouling: Insights from Multiphase Detailed Kinetic Modeling HW Pang, X Dong, WH Green Industrial & Engineering Chemistry Research 63 (2), 1013-1028, 2024 | 3 | 2024 |
| An Automated Workflow to Rapidly and Accurately Generate Transition State Structures Using Machine Learning L Pattanaik, X Dong, K Spiekermann, W Green 2021 AIChE Annual Meeting, 2021 | 2 | 2021 |
| A Wide Range Experimental and Kinetic Modeling Study of the Oxidation of 2,3-Dimethyl-2-butene: Part 1 J Liang, R He, SS Nagaraja, AAES Mohamed, H Lu, YM Almarzooq, ... Combustion and Flame 251, 112731, 2023 | 1 | 2023 |
| Microreaction Continuous Synthesis of Gold Nanoparticles X Dong, K Wang, G Luo CIESC Journal 72 (7), 3823-3831, 2021 | 1* | 2021 |
| Advancing Molecular Property Prediction and Chemical Reactivity Understanding through High-Throughput Quantum Chemistry and Graph Neural Networks H Wu, HW Pang, J Zheng, JW Burns, X Dong, SC Li, S Biswas, ... 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Accurately Predicting Barrier Heights for Radical Reactions in Solution Using Deep Graph Networks KA Spiekermann, X Dong, A Menon, WH Green, M Pfeifle, F Sandfort, ... The Journal of Physical Chemistry A 128 (39), 8384-8403, 2024 | | 2024 |
| Recent Advances in Predictive Kinetics W Green, X Dong, HW Pang, YT Wang, K Spiekermann, H Wu, Y Chung, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Quantumpioneer: Self-Evolving Machine for High-Throughput Automated Potential Energy Surface Exploration and Closed-Loop Chemical Reactivity Discovery H Wu, HW Pang, X Dong, JW Burns, K Spiekermann, A Menon, J Zheng, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Detailed Multi-Phase Chemical Kinetic Models for Polymer Fouling in Distillation Column HW Pang, X Dong, RE Hawtof, WH Green 27th International Symposia on Chemical Reaction Engineering, 2023 | | 2023 |
| A Machine-learning-powered Workflow for Predicting Transition State Structures X Dong, L Pattanaik, SC Li, K Spiekermann, A Menon, H Wu, HW Pang, ... 13th US National Combustion Meeting, 2023 | | 2023 |
| An End-to-End Workflow for Diverse Transition State Conformer Generation Using Machine Learning L Pattanaik, X Dong, H Wu, KA Spiekermann, HW Pang, WH Green 2022 AIChE Annual Meeting, 2022 | | 2022 |
William H. GreenHoyt C. Hottel Professor of Chemical Engineering, MITVerified email at mit.edu
