| Machine Learning for Renewable Energy Materials GH Gu, J Noh, I Kim, Y Jung Journal of Materials Chemistry A 7, 17096-17117, 2019 | 247 | 2019 |
| Generative adversarial networks for crystal structure prediction S Kim†, J Noh†, GH Gu, A Aspuru-Guzik, Y Jung ACS Central Science 6 (8), 1412-1420 (†equal contribution), 2020 | 165 | 2020 |
| Highly stable two-dimensional bismuth metal-organic frameworks for efficient electrochemical reduction of CO2 F Li, GH Gu, C Choi, P Kolla, S Hong, TS Wu, YL Soo, J Masa, S Mukerjee, ... Applied Catalysis B: Environmental 277, 119241, 2020 | 135 | 2020 |
| Guaiacol hydrodeoxygenation mechanism on Pt (111): insights from density functional theory and linear free energy relations K Lee, GH Gu, CA Mullen, AA Boateng, DG Vlachos ChemSusChem 8 (2), 315-322, 2014 | 129 | 2014 |
| Machine-enabled inverse design of inorganic solid materials: promises and challenges J Noh, GH Gu, S Kim, Y Jung Chemical Science 11 (19), 4871-4881, 2020 | 125 | 2020 |
| Mechanism of dehydration of phenols on noble metals via first-principles microkinetic modeling GH Gu, CA Mullen, AA Boateng, DG Vlachos ACS Catalysis 6 (5), 3047-3055, 2016 | 85 | 2016 |
| Understanding Potential-dependent Competition Between Electrocatalytic Dinitrogen and Proton Reduction Reactions C Choi, GH Gu, J Noh, HS Park, Y Jung Nature Communications 12, 4353, 2021 | 82 | 2021 |
| Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning J Jang†, GH Gu†, J Noh, J Kim, Y Jung Journal of the American Chemical Society 142 (44), 18836-18843 (†equal …, 2020 | 79 | 2020 |
| Practical Deep-Learning Representation for Fast Heterogeneous Catalyst Screening GH Gu†, J Noh†, S Kim, S Back, Z Ulissi, Y Jung The Journal of Physical Chemistry Letters 11, 3185−3191 (†equal contribution), 2020 | 78 | 2020 |
| Reduced graphene oxides with engineered defects enable efficient electrochemical reduction of dinitrogen to ammonia in wide pH range M Zhang, C Choi, R Huo, GH Gu, S Hong, C Yan, S Xu, AW Robertson, ... Nano Energy 68, 104323, 2019 | 67 | 2019 |
| Progress in Computational and Machine‐Learning Methods for Heterogeneous Small‐Molecule Activation GH Gu†, C Choi†, Y Lee, AB Situmorang, J Noh, YH Kim, Y Jung Advanced Materials 32, 1907865 (†equal contribution), 2020 | 52 | 2020 |
| Uncertainty-quantified hybrid machine learning/density functional theory high throughput screening method for crystals J Noh, GH Gu, S Kim, Y Jung Journal of Chemical Information and Modeling 60 (4), 1996-2003, 2020 | 45 | 2020 |
| Autobifunctional Mechanism of Jagged Pt Nanowires for Hydrogen Evolution Kinetics via End-to-End Simulation GH Gu, J Lim, C Wan, T Cheng, H Pu, S Kim, J Noh, C Choi, J Kim, ... Journal of the American Chemical Society 143 (14), 5355-5363, 2021 | 38 | 2021 |
| Thermochemistry of Gas-phase and Surface Species via LASSO-assisted Subgraph Selection GH Gu, P Plechac, DG Vlachos Reaction Chemistry & Engineering 3, 454-466, 2018 | 37 | 2018 |
| Lattice Convolutional Neural Network Modelling of Adsorbate Coverage-Effects J Lym†, GH Gu†, Y Jung, DG Vlachos The Journal of Physical Chemistry C 123 (31), 18951-18959 (†equal contribution), 2019 | 34 | 2019 |
| Group Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111) GH Gu, B Schweitzer, C Michel, SN Steinmann, P Sautet, DG Vlachos The Journal of Physical Chemistry C 121 (39), 21510-21519, 2017 | 31 | 2017 |
| Group additivity for thermochemical property estimation of lignin monomers on Pt (111) GH Gu, DG Vlachos The Journal of Physical Chemistry C 120 (34), 19234-19241, 2016 | 25 | 2016 |
| Perovskite synthesizability using graph neural networks GH Gu†, J Jang†, J Noh†, A Walsh, Y Jung npj Computational Materials 8 (1), 1-8 (†equal contribution), 2022 | 23 | 2022 |
| Unveiling new stable Manganese based photoanode materials via theoretical high-throughput screening and experiments J Noh, S Kim, GH Gu, A Shinde, L Zhou, J Gregoire, Y Jung Chemical Communications 55, 13418-13421, 2019 | 22 | 2019 |
| Microkinetic modeling of aqueous phase biomass conversion: application to ethylene glycol reforming GH Gu, GR Wittreich, DG Vlachos Chemical Engineering Science 197, 415-418, 2019 | 15 | 2019 |
Yousung JungProfessor of CBE, Seoul National UniversityVerified email at snu.ac.kr
