| A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 66 | 2023 |
| Exploring catalytic reaction networks with machine learning JT Margraf, H Jung, C Scheurer, K Reuter Nature Catalysis 6 (2), 112-121, 2023 | 52 | 2023 |
| Size‐Extensive Molecular Machine Learning with Global Representations H Jung, S Stocker, C Kunkel, H Oberhofer, B Han, K Reuter, JT Margraf ChemSystemsChem 2 (4), e1900052, 2020 | 38 | 2020 |
| Design of highly efficient adsorbents for removal of gaseous methyl iodide using tertiary amine-impregnated activated carbon: Integrated experimental and first-principles approach K Ho, H Chun, HC Lee, Y Lee, S Lee, H Jung, B Han, CH Lee Chemical Engineering Journal 373, 1003-1011, 2019 | 32 | 2019 |
| Optical bioelectronic nose of outstanding sensitivity and selectivity toward volatile organic compounds implemented with genetically engineered bacteriophage: Integrated study … J Park, JM Lee, H Chun, Y Lee, SJ Hong, H Jung, YJ Kim, WG Kim, ... Biosensors and Bioelectronics 177, 112979, 2021 | 22 | 2021 |
| Machine-learning driven global optimization of surface adsorbate geometries H Jung, L Sauerland, S Stocker, K Reuter, JT Margraf npj Computational Materials 9 (1), 114, 2023 | 20 | 2023 |
| First principles computational study on hydrolysis of hazardous chemicals phosphorus trichloride and oxychloride (PCl3 and POCl3) catalyzed by molecular water clusters H Jung, J Kang, H Chun, B Han Journal of hazardous materials 341, 457-463, 2018 | 13 | 2018 |
| Unraveling the selective etching mechanism of silicon nitride over silicon dioxide by phosphoric acid: First-principles study S Park, H Jung, KA Min, J Kim, B Han Applied Surface Science 551, 149376, 2021 | 12 | 2021 |
| Estimating free energy barriers for heterogeneous catalytic reactions with machine learning potentials and umbrella integration S Stocker, H Jung, G Csányi, CF Goldsmith, K Reuter, JT Margraf Journal of Chemical Theory and Computation 19 (19), 6796-6804, 2023 | 11 | 2023 |
| Desulfurization of hexyl sulfide and hexanethiol using supercritical water J Kang, S Sim, H Jung, B Han, YW Lee The Journal of Supercritical Fluids 158, 104734, 2020 | 9 | 2020 |
| Elucidation of hydrolysis reaction mechanism of tungsten hexafluoride (WF6) using first-principles calculations H Jung, J Hwang, H Chun, B Han Journal of Industrial and Engineering Chemistry 70, 99-102, 2019 | 8 | 2019 |
| Dramatic catalytic activation of kinetically inert disilane hydrolysis in metallic iron particulate via barrierless chemical dissociation: First-principles study W Tao, H Jung, TI Ryu, SR Hwang, B Han Applied Surface Science 560, 149988, 2021 | 3 | 2021 |
| Thermochemical study for remediation of highly concentrated acid spill: Computational modeling and experimental validation H Jung, T Shin, N Cho, T Kim, J Kim, TI Ryu, KB Song, SR Hwang, ... Chemosphere 247, 126098, 2020 | 3 | 2020 |
| Machine-Learning Driven Exploration of Catalytic Reaction Networks H Jung 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Reaction Network and Kinetic Modeling of Free Radical Polymerization Reactions Via First-Principles and Machine Learning Approach H Jung, S Park, B Han 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Byungchan HanYonsei university在 yonsei.ac.kr 的电子邮件经过验证
