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Hyun-wook Jung
Hyun-wook Jung
Fritz-Haber-Institut der MPG
Bestätigte E-Mail-Adresse bei fhi.mpg.de
Titel
Zitiert von
Zitiert von
Jahr
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
352020
Exploring catalytic reaction networks with machine learning
JT Margraf, H Jung, C Scheurer, K Reuter
Nature Catalysis 6 (2), 112-121, 2023
302023
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
302019
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
202021
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
132023
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
132018
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
122023
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
102021
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
72020
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
72019
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
32023
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
32021
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
32020
Machine-Learning Driven Exploration of Catalytic Reaction Network
H Jung, S Stocker, K Reuter, JT Margraf
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
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