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Hyunwook Jung

Postdoctoral Fellow



2021.03 - present    

Yonsei Univ.  Postdoc, Chemical & Biomolecular Engineering


Yonsei Univ.  Ph.D, Chemical & Biomolecular Engineering,

                        Advisor: Byungchan Han

Yonsei Univ.  B.S., Chemical & Biomolecular Engineering

2016.03 - 2021.02   


2012.03 - 2016.02   


Excellent poster awards, Korean Institute of Surface Engineering

DAAD/NRF Summer Institute Program


2019.07 - 2019.08   

Research Interest

Total                8 papers

First author    5 papers

1. Development of reaction network for complex mechanism and kinetic modeling 

2. Prediction of reaction energy of molecular systems using molecular machine learning

3. High-throughput screening of additive material for lithium-ion battery electrolyte


  1. Soyong Park, Hyunwook Jung, Kyung-Ah Min, Byungchan Han, Unraveling the Selective Etching Mechanism of Silicon Nitride Over Silicon Dioxide by Phosphoric Acid: First-Principles Study, Applied Surface Science, In press (2021)

  2. Jungyun Park, Jong-Min Lee, Hoje Chun, Yujin Lee, Sung Jun Hong, Hyunwook Jung, Ye-Ji Kim, Won-Geun Kim, Vasanthan Devaraj, Eun Jung Choi, Jin-Woo Oh, Byungchan Han “Optical bioelectronic nose of outstanding sensitivity and selectivity toward volatile organic compounds implemented with genetically engineered bacteriophage: Integrated study of multi-scale computational prediction and experimental validation” Biosensors and Bioelectronics, 177, 112979 (2021).

  3. Hyunwook Jung, Taesub Shin, Namjun Cho, Tae-kyung Kim, Jongwoon Kim, Tae In Ryu, Ki Bong Song, Seung-Ryul Hwang, Beyoung_Hwan Ryu, Byungchan Han, Thermochemical study for remediation of highly concentrated acid spill: Computational modeling and experimental validation, Chemosphere, 247, 126098 (2020)

  4. Hyunwook Jung, Sina Stocker, Christian Kunkel, Harald Oberhefer, Byungchan Han, Karsten Reuter, Johannes T. Margraf, Size-Extensive Molecular Machine Learning with Global Representations, ChemSystemsCHem, e1900052 (2020)

  5. Jinmoon Kang, Seungjae Sim, Hyunwook Jung, Byungchan Han, Youn-Woo Lee, Desulfurization of hexyl sulfide and hexanethiol using supercritical water, The Journal of Supercritical Fluids, 158, 104734 (2020)

  6. Keon Ho, Hoje Chun, Hyung Chae Lee, Yunjo Lee, Seulah Lee, Hyunwook Jung, Byungchan Han, Chang-Ha, Design of highly efficient adsorbents for removal of gaseous methyl iodide using tertiary amine-impregnated activated carbon: Integrated experimental and first-principles approach, Chemical Engineering Journal, 373, 1003-1011 (2019)

  7. Hyunwook Jung, Jeemin Hwang, Hoje Chun, Byungchan Han, Elucidation of hydrolysis reaction mechanism of tungsten hexafluoride (WF6) using first-principles calculations, Journal of Industrial and Engineering Chemistry, 70, 99-102 (2019)

  8. Hyunwook Jung, Junhee. Kang, Hoje Chun, Byungchan Han,  First principles computational study on hydrolysis of hazardous chemicals phosphorus trichloride and oxychloride (PCl3 and POCl3) catalyzed by molecular water clusters. Journal of hazardous materials, 341, 457-463 (2018)


  1. H. Jung, B. Ryu, and B. Han, “Theoretical Modelling and Experimental Validation of Neutralization Reaction of Acidic Spillover By Calcium Hydroxide [Ca(OH)2] and Sodium Bicarbonate [NaHCO3],” in 2019 AIChE Annual Meeting, Orlando, Florida, USA, Nov 2019.

  2. H. Jung, S. Park, and B. Han, “Reaction Network and Kinetic Modeling of Free Radical Polymerization Reactions Via First-Principles and Machine Learning Approach,” in 2020 Virtual AIChE Annual Meeting, Nov 2020.

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