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Hoje Chun 

Integrated M.S. & Ph.D.



Yonsei Univ.  Research internship, HANS lab

2016.06 - 2018.02    


Yonsei Univ.  Integrated M.S. & Ph.D.

                          Chemical & Biomolecular Engineering

Yonsei Univ.  B.S., EESE in ISED, UIC

2018.03 - 2023.02   


2011.03 - 2016.02   

Awards & Honors

Best poster awards, Nano Korea 2019

BK21 Graduate Student Award

Global Ph.D. Fellowship,

                The international Research Foundation of Korea(NRF)



2019 - present   


Research Interest

Total                33 papers

First author     12 papers

1. Machine-Learning Atomic Potential & Computational Platform

2. Nanomaterials: Investigation of nanoparticles dynamics and their functionalities

3. Sustainable & Energy Materials: First-principles calculations of functional materials


  1. Wei Tao, Hoje Chun, Suseong Hyun, Byungchan Han*, "Design a multiphase interfaced Ge(GeOx)/T-Nb2O5−x/C anode with synergistic high capacity and durability for Li-ion batteries", APPLIED SURFACE SCIENCE, (2023)

  2. Park, Dong Gyu; Choi, Jae Won; Chun, Hoje; Jang, Hae Sung; Lee, Heebin; Choi, Won Ho; Moon, Byeong Cheul; Kim, Keon-Han; Kim, Min Gyu; Choi, Kyung Min; Han, Byungchan; Kang, Jeung Ku, "Increasing CO binding energy and defects by preserving Cu oxidation state via O2 plasma-assisted N doping on CuO enables high C2+ selectivity and long-term stability in electrochemical CO2 reduction", ACS CATALYSIS, (2023)

  3. Suseong Hyun, Hoje Chun, Minjoon Hong, Joonhee Kang, Byungchan Han, "First-Principles Study on Ultrafast Li-ion Diffusion in Halospinel Li2Sc2/3Cl4 Through Multichannels Designed by Aliovalent Doping", JOURNAL OF MATERIALS CHEMISTRY A, (2023)

  4. Junyoung Heo, Dongjun Kim, Hyesung Choi, Sungin Kim, Hoje Chun, Cyril Reboul, Cong T. S. Van, Dominika Elmlund, Soonmi Choi, Kihyun Kim, Younggil Park, Hans Elmlund, Byungchan Han, Jungwon Park, "Method for 3D atomic structure determination of multi-element nanoparticles with graphene liquid-cell TEM", SCIENTIFIC REPORTS, (2023)

  5. Mengjie Liu, Hoje Chun, Tsung-Cheng Yang, Sung Jun Hong, Chia-Min Yang, Byungchan Han and Lawrence Yoon Suk Lee, "Tuning the Site-to-Site Interaction in Ru–M (M = Co, Fe, Ni) Di-atomic Electrocatalysts to Climb up the Volcano Plot of Oxygen Electroreduction", ACS NANO, (2022)

  6. Sung Jun Hong, Hoje Chun, Minjoon Hong, Byungchan Han, "N- and B-doped Fullerene as Peroxidase- and Catalase-like Metal-free Nanozymes with pH-switchable Catalytic Activity: A First-principles Approach", APPLIED SURFACE SCIENCE, (2022)

  7. Juhyung Choi, Daekyu Kim, Sung Jun Hong, Xiandi Zhang, Hwichan Hong, Hoje Chun, Byungchan Han, Lawrence Yoon Suk Lee, and Yuanzhe Piao, "Tuning the electronic structure and inverse degree of inverse spinel ferrites by integrating samarium orthoferrite for efficient water oxidation", APPLIED CATALYSIS B: ENVIRONMENTAL, (2022)

  8. Junyoung Heo; Dohun Kang; Sungin Kim; Hoje Chun; Byungchan Han; Byung Hyo Kim; Jungwon Park, "3-Dimensional Scanning of Entire Unit Cells in Single Nanoparticles", CHEMNANOMAT, (2022)

  9. Minjoon Hong; Hoje Chun; Choah Kwon; Byungchan Han, "Outstanding Stability of Gd-doped UO2 against Surface Oxidation: First-principles Study", APPLIED SURFACE SCIENCE, (2022)

  10. Koh, See Wee; Hu, Jie; Chun, Hoje; Yu, Peng; Ge, Junyu; Sun, Zixu; Hong, Wei; Liu, Qiunan; Nam, Kyungju; Han, Byungchan; Liu, Zheng; Li, Hong, "Two-dimensional Palladium Phosphoronitride for Oxygen Reduction", ACS APPLIED MATEIRALS & INTERFACES, (2022)

  11. Jaeyoung Hong, Jee-Hwan Bae, Hyesung Jo, Hee-Young Park, Sehyun Lee, Sung Jun Hong, Hoje Chun …… Byungchan Han, Sungho Jin, Taeghwan Hyeon, Jungwon Park, Chang Yun Son, Yongsoo Yang, Young-Su Lee, Sung Jong Yoo, Dongwon Chun, "Metastable Hexagonal Close-Packed Palladium Hydride in Liquid Cell TEM", NATURE, (2022)

  12. David Kumar Yesudoss, Hoje Chun, Byungchan Han, Sangaraju Shanmugam, "Accelerated N2 Reduction Kinetics in Hybrid Interfaces of NbTiO4 and Nitrogen-doped Carbon Nanorod via Synergistic Electronic Coupling Effect", APPLIED CATALYSIS B: ENVIRONMENTAL, (2021)

  13. Hoje Chun, Kyungju Nam, Sung Jun Hong, JoonHee Kang, Byungchan Han, "Design of unique anion framework in halospinel for outstanding performance of all solid-state Li-ion battery: First-principles approach", JOURNAL OF MATERIAL CHEMISTRY A, (2021)

  14. Hoje Chun, Eunjik Lee, Kyungju Nam, Ji-Hoon Jang, Woomin Kyoung, Seung Hyo Noh, Byungchan Han, "First-principles Data Integrated Machine-learning Approach for High-throughput Searching of Ternary Electrocatalyst towards Oxygen Reduction Reaction", CHEM CATALYSIS (CELL PRESS) [FRONTIER COVER SELECTED], (2021)

  15. Sung Jun Hong, Hoje Chun, Jehyun Lee, Byung-Hyun Kim, Min Ho Seo, Joonhee Kang, Byungchan Han. "First-Principles based Machine-learning Molecular Dynamics for Crystalline Polymers with Van der Waals Interactions", THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS [FRONT COVER SELECTED], (2021)

  16. Sung Jun Hong, Hoje Chun, Choah Kwon, Byungchan Han, "n-type thermoelectric properties of a hexagonal SiGe polymorph superior to a cubic SiGe", JOURNAL OF ALLOYS AND COMPOUNDS, (2021)

  17. 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, (2021)

  18. Jong-Min Lee, Jin Woo Choi, Il Jeon, Ye Zhu, Tao Yang, Hoje Chun, Jongmoon Shin, Juyun Park, Joohee Band, Kyounga Lim, Won-Geun Kim, Yeji Kim, Hyuk Jeong, Eun Jung Choi, Vasanthan Devaraj, Jeong Seok Nam, Hyungju Ahn, Yong-Cheol Kang, Byungchan Han, Myungkwan Song, Jin-Woo Oh, Chuanbin Mao “High quantum efficiency and stability of biohybrid quantum dots nanojunctions in bacteriophage-constructed perovskite”, MATERIALS TODAY NANO (2021)

  19. 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 & BIOELECTRONICS, (2021)

  20. Ga-Young Cha, Hoje Chun, Do-Young Hong+, Jaegyeom Kim, Kyung-Ho Cho, U-Hwang Lee, Jong-San Chang, Sam Gon Ryu, Hae Wan Lee, Seung-Joo Kim, Byungchan Han, Young Kyu Hwang, "Unique design of superior metal-organic framework for removal of toxic chemicals in humid environment via direct functionalization of the metal nodes.", JOURNAL OF HAZARDOUS MATERIALS, (2020)

  21. Sung Jun Hong, Hoje Chun, Kyung Ah Min, Byungchan Han, "First-principles mechanism study on distinct optoelectronic properties of Cl-doped 2D hybrid tin iodide perovskite", JOURNAL OF MATERIALS CHEMISTRY C, (2020)

  22. Kyungju Nam, Hoje Chun, Jeemin Hwang, Kyung Ah Min, Byungchan Han, "Pairing of Transition Metal Dichalcogenides and Doped Graphene for Catalytically Dual Active Interfaces for the Hydrogen Evolution Reaction", ACS SUSTAINABLE CHEMISTRY & ENGINEERING, (2020)

  23. Yunxing Zhao, Jeemin Hwang, Michael T. Tang, Hoje Chun, Xingli Wang, Hu Zhao, Karen Chan, Byungchan Han, Pingqi Gao, Hong Li, "Ultrastable molybdenum disulfide-based electrocatalyst for hydrogen evolution in acidic media", JOURNAL OF POWER SOURCES, (2020)

  24. Byung Hyo Kim, Junyoung Heo, Sungin Kim, Cyril F. Reboul, Hoje Chun, Dohun Kang, Hyeonhu Bae, Hyejeong Hyun, Jongwoo Lim, Hoonkyung Lee, Byungchan Han, Taeghwan Hyeon, A. Paul Alivisatos, Peter Ercius, Hans Elmlund, Jungwon Park, "Critical differences in 3D atomic structure of individual ligand-protected nanocrystals in solution", SCIENCE, (2020)

  25. Hoje Chun, Daehyeon Choi, Joonhee Kang, Jung Su Park, Byungchan Han, "First-principles computational study of Ni/α-Al2O3 hybrid interface reactions under extreme thermodynamic conditions", APPLIED SURFACE SCIENCE, (2020)

  26. Kyungju Nam, Hoje Chun, Jeemin Hwang, Byungchan Han, "First-Principles Design of Highly Functional Sulfide Electrolyte of Li10 -xSnP2S12- xClx for All Solid-State Li-Ion Battery Applications", ACS SUSTAINABLE CHEMISTRY & ENGINEERING, (2020)

  27. Keon Ho, Hoje Chun, Hyung Chae Lee, Yunjo Lee, Seulah Lee, Hyunwook Jung, Byungchan Han, Chang-Ha Lee, "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, (2019)

  28. 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, (2019)

  29. Joonhee Kang, Seung Hyo Noh, Jeemin Hwang, Hoje Chun, Hansung Kim, Byungchan Han, "First-principles database driven computational neural network approach to the discovery of active ternary nanocatalysts for oxygen reduction reaction", PHYSICAL CHEMISTRY CHEMICAL PHYSICS, (2018)

  30. Choah Kwon, Seung Hyo Noh, Hoje Chun, Il Soon Hwang, Byungchan Han, "First principles computational studies of spontaneous reduction reaction of Eu(III) in eutectic LiCl-KCl molten salt", INTERNATIONAL JOURNAL OF ENERGY RESEARCH, (2018)

  31. Hoje Chun, Joonhee Kang, Byungchan Han, "Universal Scaling Relationship To Screen an Efficient Metallic Adsorbent for Adsorptive Removal of Iodine Gas under Humid Conditions: First-Principles Study", JOURNAL OF PHYSICAL CHEMISTRY C, (2018)

  32. Hyunwook Jung, Joonhee Kang, Hoje Chun, Byungchan Han, "First principles computational study on hydrolysis of hazardous chemicals phosphorus trichloride and oxychloride (PC3 and POCl3) catalyzed by molecular water clusters", JOURNAL OF HAZARDOUS MATERIALS, (2018)

  33. Hoje Chun, Joonhee Kang, Byungchan Han, "First principles computational study on the adsorption mechanism of organic methyl iodide gas on triethylenediamine impregnated activated carbon", PHYSICAL CHEMISTRY CHEMICAL PHYSICS, (2016)


  1. Method for Prediction of Absorbance Change by Intermolecular Interaction, International (PCT), (Oct. 2018)

  2. 분자 간 상호작용에 의한 흡광도 변화 예측 방법, 10-2018-0124342 (Oct. 2018)


  1. Machine-Learning Driven Potential Energy Surface for Nanoparticles Alloy System towards Oxygen Reduction Reaction, Virtual, USA (Nov. 2020)

  2. First-Principles Computational Study of the Adsorption Mechanism for CH3I(g) Removal, AIChE, Orlando, USA (Nov. 2019)

  3. 아민 첨착 활성탄에서의 유기요오드 흡착 제거능 평가 및 메커니즘 분석, Korea Institute of Hazardous Materials, Busan, Korea (July 2019)

  4. Highly Efficient Adsorbents for Removal of Gaseous Methyl Iodide Using Tertiary Amines Impregnated Activated Carbon, NANO KOREA 2019, Ilsan, Korea (July 2019)

  5. 제일원리 전산모사를 통한 첨착활성탄의 유기요오드 흡착능 평가, 11th International Army Modeling & Simulation Education Conference, Daejeon, Korea, (Nov. 2018)

  6. First-Principles Computational Study of the Adsorption Mechanism of CH3I(g) on Activated Carbon and Transition Metal Surfaces, 8th Pacific Basin Conference on Adsorption Science and Technology, Sapporo, Japan (Sep. 2018)

  7. First principles computational study on the adsorption mechanism of organic methyl iodide gas on triethylenediamine impregnated activated carbon, 2016 AIChE Annual Meeting, San Francisco, USA (Nov. 2016)

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