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 | 64 | 2022 |
Electrospun membranes of imidazole-grafted PVDF-HFP polymeric ionic liquids for highly efficient quasi-solid-state dye-sensitized solar cells HW Pang, HF Yu, YJ Huang, CT Li, KC Ho Journal of Materials Chemistry A 6 (29), 14215-14223, 2018 | 40 | 2018 |
Hierarchical TiO 1.1 Se 0.9-wrapped carbon cloth as the TCO-free and Pt-free counter electrode for iodide-based and cobalt-based dye-sensitized solar cells CT Li, CP Lee, IT Chiu, R Vittal, YJ Huang, TY Chen, HW Pang, JT Lin, ... Journal of Materials Chemistry A 5 (27), 14079-14091, 2017 | 29 | 2017 |
One-step synthesis of graphene hollow nanoballs with various nitrogen-doped states for electrocatalysis in dye-sensitized solar cells CA Tseng, CP Lee, YJ Huang, HW Pang, KC Ho, YT Chen Materials today energy 8, 15-21, 2018 | 26 | 2018 |
Microemulsion-controlled synthesis of CoSe2/CoSeO3 composite crystals for electrocatalysis in dye-sensitized solar cells YJ Huang, CP Lee, HW Pang, CT Li, MS Fan, R Vittal, KC Ho Materials today energy 6, 189-197, 2017 | 26 | 2017 |
Electrospun nanofibers composed of poly (vinylidene fluoride-co-hexafluoropropylene) and poly (oxyethylene)-imide imidazolium tetrafluoroborate as electrolytes for solid-state … HF Yu, SY Kao, HC Lu, YF Lin, H Feng, HW Pang, R Vittal, JJ Lin, KC Ho Solar Energy Materials and Solar Cells 177, 32-43, 2018 | 20 | 2018 |
ReactionMechanismSimulator. jl: A modern approach to chemical kinetic mechanism simulation and analysis MS Johnson, HW Pang, AM Payne, WH Green International Journal of Chemical Kinetics, 2023 | 7 | 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 | 6 | 2023 |
Formation of two-ring aromatics in hexylbenzene pyrolysis L Lai, HW Pang, WH Green Energy & Fuels 34 (2), 1365-1377, 2020 | 6 | 2020 |
Species Selection for Automatic Chemical Kinetic Mechanism Generation MS Johnson, HW Pang, M Liu, WH Green | 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 | 3 | 2024 |
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 | 2 | 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 | 2 | 2024 |
Towards Accurate Quantum Mechanical Thermochemistry:(1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions AM Payne, H Wu, HW Pang, CA Grambow, DS Ranasinghe, X Dong, ... | 1 | 2023 |
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 |
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 |
An End-to-End Workflow for Diverse Transition State Conformer Generation Using Machine Learning L Pattanaik, X Dong, H Wu, K Spiekermann, HW Pang, W Green 2022 AIChE Annual Meeting, 2022 | | 2022 |
Investigating Effectiveness of Diethylhydroxylamine (DEHA) As Inhibitor for Oxygen-Involved Polymer Fouling Using Automatically Generated Multi-Phase Kinetics Model HW Pang, M Forsuelo, X Dong, R Hawtof, W Green 2022 AIChE Annual Meeting, 2022 | | 2022 |
Iterative Workflow for Quantification and Minimization of Reduced Chemistry-Induced Uncertainties in Reacting Flow Simulation HW Pang, M Hassanaly, B Perry, M Day, WH Green National Renewable Energy Lab.(NREL), Golden, CO (United States), 2022 | | 2022 |