| High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting F Yu, H Zhou, Y Huang, J Sun, F Qin, J Bao, WA Goddard III, S Chen, ... Nature communications 9 (1), 2551, 2018 | 989 | 2018 |
| Efficient hydrogen evolution by ternary molybdenum sulfoselenide particles on self-standing porous nickel diselenide foam H Zhou, F Yu, Y Huang, J Sun, Z Zhu, RJ Nielsen, R He, J Bao, ... Nature Communications 7 (1), 12765, 2016 | 325 | 2016 |
| The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS2 Y Huang, RJ Nielsen, WA Goddard III, MP Soriaga Journal of the American Chemical Society 137 (20), 6692-6698, 2015 | 195 | 2015 |
| Effects of Surface Roughness on the Electrochemical Reduction of CO2 over Cu K Jiang, Y Huang, G Zeng, FM Toma, WA Goddard III, AT Bell ACS Energy Letters 5 (4), 1206-1214, 2020 | 166 | 2020 |
| Engineering the composition and crystallinity of molybdenum sulfide for high-performance electrocatalytic hydrogen evolution Y Li, Y Yu, Y Huang, RA Nielsen, WA Goddard III, Y Li, L Cao ACS catalysis 5 (1), 448-455, 2015 | 147 | 2015 |
| Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics MD Hossain, Y Huang, TH Yu, WA Goddard III, Z Luo Nature communications 11 (1), 2256, 2020 | 125 | 2020 |
| Reaction Mechanism for the Hydrogen Evolution Reaction on the Basal Plane Sulfur Vacancy Site of MoS2 Using Grand Canonical Potential Kinetics Y Huang, RJ Nielsen, WA Goddard III Journal of the American Chemical Society 140 (48), 16773-16782, 2018 | 116 | 2018 |
| Identifying Active Sites for CO2 Reduction on Dealloyed Gold Surfaces by Combining Machine Learning with Multiscale Simulations Y Chen, Y Huang, T Cheng, WA Goddard III Journal of the American Chemical Society 141 (29), 11651-11657, 2019 | 115 | 2019 |
| Density functional theory based neural network force fields from energy decompositions Y Huang, J Kang, WA Goddard III, LW Wang Physical Review B 99 (6), 064103, 2019 | 77 | 2019 |
| Identification of the Selective Sites for Electrochemical Reduction of CO to C2+ Products on Copper Nanoparticles by Combining Reactive Force Fields, Density … Y Huang, Y Chen, T Cheng, LW Wang, WA Goddard III ACS Energy Letters 3 (12), 2983-2988, 2018 | 75 | 2018 |
| Predicted structures of the active sites responsible for the improved reduction of carbon dioxide by gold nanoparticles T Cheng, Y Huang, H Xiao, WA Goddard III The journal of physical chemistry letters 8 (14), 3317-3320, 2017 | 52 | 2017 |
| Fractal self-organization of bacteria-inspired agents Y Huang, I Krumanocker, MO Coppens Fractals 20 (02), 179-195, 2012 | 6 | 2012 |
| Data-Driven Ranking and Visualization of Products by Competitiveness S Usmani, M Bernagozzi, Y Huang, M Morales, AS Sarvestani, ... Proceedings of the AAAI Conference on Artificial Intelligence 34 (09), 13640 …, 2020 | 2 | 2020 |
| Clarity: Data-Driven Automatic Assessment of Product Competitiveness S Usmani, M Bernagozzi, Y Huang, M Morales, AS Sarvestani, ... Proceedings of the AAAI Conference on Artificial Intelligence 34 (08), 13204 …, 2020 | 2 | 2020 |
| Clarity 2.0: Improved assessment of product competitiveness from online content Y Huang, M Bernagozzi, M Morales, S Usmani, B Srivastava, M Mullins AI Magazine 42 (2), 59-70, 2021 | 1 | 2021 |
| Computational methods for the determination of electrocatalytic mechanisms R Nielsen, Y Huang, Y Ping, WA Goddard | | 2019 |
| Mechanistic insights from sulfide and oxide catalysts RJ Nielsen, Y Huang, SI Johnson, Y Ping, WA Goddard | | 2018 |
| DFT-based neural network force fields from energy decompositions Y Huang, J Kang, WA Goddard III, LW Wang | | |
