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Principal Investigator
E-mail: ham.hyungchul@inha.ac.kr
Office: 60-1102 in 60th Anniversary Hall
Phone: (032) 860-7467/Fax: (032) 873-0181
Associate Editor,Frontiers in Catalysis (Modelling, Theory and Computational Catalysis Section), Switzerland (2022− present)
Associate Editor, New & Renewable Energy, Republic of Korea (2021− present)
Editorial Board Member, Membranes, MDPI, Switzerland (2021 − present)
Short Biography
Hyung Chul Ham (함형철 in korean) is currently Professor of Chemical Engineering and Principal Investigator at Computational Catalysis and Nanomaterials Science Lab (CCNM) at Inha University. His main research area is the quantum mechanics (QM) and Machine Learning (ML) based atomistic modeling of catalyst and energy materials. Before joining Inha University as a faculty member, he worked for fuel cell research center at KIST (Korea Institute of Science and Technology) for 16 years as principal/senior/junior research scientist. He received his PhD degree (focused on QM-based Computational Catalysis and Theoretical Chemistry) from Department of Chemical Engineering, Cockrell School of Engineering, The University of Texas at Austin. He hold MS and BS degrees of Chemical Engineering from KAIST (Korea Advanced Institute of Science and Technology) and Korea University, respectively. Click here for full CV and 이력서(한글).
Profile in Scopus (citation)
Selected Publications
S. Shin#, E. Lee#, J. Nam, J. Kwon, Y. Choi, B J. Kim, H. C. Ham*, H. Lee*, “Carbon-Embedded Pt Alloy Cluster Catalysts with High Activity and Durability for Proton Exchange Membrane Fuel Cells”, Advanced Energy Materials, 14 (29), 2400599 (2024)
S. Kamalakannana#, E. Kim#, D. K. Kim*, H. J. Kim* and H.C. Ham*, “Engineering the band gap of g-C3N4 Catalyst by the incorporation of organic acid for Efficient Bio-Diesel Production”, Journal of Physical Chemistry C, accepted (2024)
M.–G. Kim#, H. J. Lee#,T. K. Lee, E. Lee, H. Jin, J.–H. Park, S. Y. Cho, S. Lee, H. C. Ham*, and S. J. Yoo*, “Iridium Selenium Oxyhydroxide Shell for Polymer Electrolyte Membrane Water Electrolyzer with Low Ir Loading”, ACS Energy Letter, 9 (6), 2876-2884 (2024)
L. T. Do#, H. W. Cha#, J-W. Choi, D. J. Suh, C.-J. Yoo, H. Lee, K. H. Kim, C. S. Kim, K. Kim, H. C. Ham*, J.-M. Ha*, “Adsorbed oxygen atoms for improving the oxidative dehydrogenation of ethane over B-site-doped layered perovskite La2Ti2O7”, Chemical Engineering Journal, 481, 148554, (2024)
H. C., Song and H.C. Ham*, “Engineering MXene Support to Boost the Activity and Stability of Single and Double Atom Catalysts toward Electrochemical NH3 Production via N2 Reduction”, Chemical Engineering Journal, 470, 144243 (2023)
S.-H. Kim, H. C. Song, S.J. Yoo, J. Han*, K.-Y. Lee* and H. C. Ham*, “Impact of Ligand-induced Ensemble Structure of Hetero Double Atom Catalysts in Electrochemical NH3 Production”, Journal of Materials Chemistry A, 10, 6216-6230 (2022)
E. Lee, S. H. Choi and H.C. Ham*, “First-principles Design of Hetero CoM (M=3d,4d, 5d Block Metals) Double Atom Catalysts for Oxygen Evolution Reaction”, Nanoscale Advances, 4(13), 2913-2921 (2022)
S. G. Akpe, S. H. Choi and H.C. Ham*, “Conversion of Cyclic Xylose into Xylitol on the Ru, Pt, Pd, Ni, and Rh Catalysts: A Density Functional Theory Study”, Physical Chemistry Chemical Physics (PCCP), 23 (46), 26195-26208 (2021) (2021 HOT PCCP article selected by Editors)
D.Y. Jo, H. C. Ham* and K. Y. Lee*, “Facet-dependent Electrocatalysis in the HCOOH Synthesis from CO2 Reduction on Cu catalyst: A Density Functional Theory Study”, Applied Surface Science, 527, 15, 146857 (2020)
D.Y. Jo, H. C. Ham* and K. Y. Lee*, “Role of the Zn atomic arrangements in Enhancing the Activity and Stability of the Kinked Cu(211) site in CH3OH Production by CO2 Hydrogenation and Dissociation: First-principles Microkinetic Modeling Study”, Journal of Catalysis, 373, 336-350 (2019)
S. Lim, J.-W Choi, D.-J. Seo, S. H. Song, H. C. Ham*, and J. -M Ha*, “Combined experimental and density functional theory (DFT) studies on the catalyst design for the oxidative coupling of methane”, Journal of Catalysis, 375, 478-492 (2019)
J. Cho, I. Chang, H. S. Park, S. H. Choi, J. H. Jang, H.-J. Kim, S.P. Yoon, S. J. Yoo*, and H. C. Ham*, “Computational and Experimental Design of Active and Durable Ir-based Nanoalloy for Electrochemical Oxygen Reduction Reaction”, Applied Catalysis B: Environmental, 234, 177-185 (2018)
J. Cho, S. Lee, J. Han, S.P. Yoon, S. W. Nam, K. Y. Lee and H.C. Ham*, “Role of Heteronuclear Interactions in Selective H2 Formation from HCOOH Decomposition on Pd/M (M=Late Transition FCC Metals) Catalysts”, ACS Catalysis, 7, 2553-2562 (2017)
S. Lee, J. Cho, J. H. Jang, J. Han, S. W. Nam, S.P. Yoon, T. H. Lim and H. C. Ham*, “Impact of d-band Occupancy and Lattice Contraction on Selective Hydrogen Production from Formic Acid in the Bimetallic Pd-M(early-transition metal) Catalyst”, ACS Catalysis, 6(1), 134-142 (2016)
C.-E. Kim, D.-H. Lim, J.H. Jang, S.P. Yoon, H.-J. Kim, S. W. Nam, S-. A. Hong, A. Soon* and H.C. Ham*, “Effect of Gold Subsurface Layer on the Surface Activity and Segregation in Pt3M Alloy Catalyst from First-Principles",The Journal of Chemical Physics,142(3), 034707 (2015)
D. H. Lim, H.S. Kim, S.P. Yoon, J. Han, S. W. Nam and H. C. Ham*, “Mechanisms of Enhanced Sulfur Tolerance on Samarium (Sm)-doped Cerium Oxide (CeO2) from First-Principles”, Physical Chemistry Chemical Physics(PCCP), 16 (22), 10727-10733 (2014)
J. Cho, S. Lee, J. Han, S.P. Yoon, S. W. Nam, S.H. Choi, K. Y. Lee and H.C. Ham*, “Importance of Ligand Effect in Enhanced Dehydrogenation of HCOOH on the Bimetallic Pd/Ag Catalyst from First-Principles”, Journal of Physical Chemistry C, 118, 22254-22560 (2014)
H. C. Ham, D. Manogaran, K.H. Lee, K. Kwon, S.-A. Jin, D.J. You, C. Pak, and G.S. Hwang*, “Enhanced Oxygen Reduction Reaction and Its Underlying Mechanism in Pd-Ir-Co Trimetallic Alloys”, The Journal of Chemical Physics - Communications, 139, 201104 (2013)
H. C. Ham, J. A. Stephenson, G. S. Hwang*, J Han, S. W. Nam, and T. H. Lim, “Role of small Pd ensemble in boosting CO oxidation in AuPd alloys”, Journal of Physical Chemistry Letter, 3, 566 (2012)
H. C. Ham, G. S. Hwang*, J. Han, S. W. Nam, and T. H. Lim, “On the Role of Pd Ensembles in Selective H2O2 Formation on AuPd Alloy Surfaces”, Journal of Physical Chemistry C – Letter,113, 12943-12945 (2009)
Postdoctoral Researchers
Graduate Research Assistants (PhD course)
Eoyoon Lee (이어윤)
(2022.03 ~ present) (KIST graduate student researcher)
Ph.D. Student, Chemical Engineering
INHA Graduate School Fellowship, Graduate Research Assistant
M.S. Chemical Engineering, Inha University (2022)
B.S. Chemical Engineering, Inha University
Research topic: [Density Functional Theory] Oxygen reduction and evolution catalyst
E-mail: eoyoonlee@inha.edu
Office: 2S312 at Building #2
Workstation: Planck
Hoyoung Lim (임호영)
(2022.03 ~ present)
Ph.D. Student (Part-time), Chemical Engineering
(He is a senior research scientist in Defense Agency of Technology and Quality)
INHA Graduate School Scholarship
B.S. Chemistry, Inha University
Research topic: [Density Functional Theory] Nitrogen reduction
E-mail: hoyoung.lim@inha.edu
Office: 2S312 at Building #2
Workstation: Fermi
Hyun Ju Lee (이현주)
(2024.09 ~ present)
PhD Student, Chemical Engineering
INHA Graduate School Fellowship
Graduate Research Assistant
M.S. in Chemical Engineering, Inha University
B.S. in Chemical Engineering, Inha University
Research topic: [Density Functional Theory] Nitrogen reduction catalysts
E-mail:leehyunju09@inha.edu
Office: 2S312 at Building #2
Workstation: Faraday
Sachin Rautela
(2025.03 ~ present)
Ph.D. Student, Chemical Engineering
INHA Global Vision Fellowship, Graduate Research Assistant
M.Sc. in Chemistry, Indian Institute of Technology (IIT), Mandi, India
B.Sc. M.B. Government Post Graduate College, Haldwani, India
Research topic: TBD
E-mail: sachinrautela@inha.edu
Office: 2S312 at Building #2
Workstation: TBD
Graduate Research Assistants (Integrated MS/PhD course)
Chi Hun Lee (이치훈)
(2023.12 ~ present)
MS/PhD Student Researcher
B.S. in Chemical Engineering, Inha University
Research topic: [Density Functional Theory] Plasma-driven CH4 Activation catalyst
E-mail: chihunlee@inha.edu
Office: 2S312 at Building #2
Workstation: Newton
Graduate Research Assistants (MS course)
Junghyeon Han (한정현)
(2023.01 ~ present)
Graduate Student Researcher
B.S. Student in Chemical Engineering, Inha University
Research topic: (Machine Learning) Generative model for catalyst design
E-mail: junghyeon.han@inha.edu
Office: 2S312 at Building #2
Workstation: Turing
Eun Seong Yoo (유은성)
(2022.03 ~ present)
MS Student, Chemical Engineering
B.S. Student in Chemical Engineering, Inha University
Research topic: (Machine Learning) Graph neural network for catalyst design
E-mail:eunseong@inha.edu
Office: 2S312 at Building #2
Workstation: Schrodinger
Hyung Kyu Park (박형규)
(2022.11 ~ present)
MS Student, Chemical Engineering
B.S. Student in Chemical Engineering, Inha University
Research topic: [Density Functional Theory] Oxygen Reduction Reaction Catalysis
E-mail: bhk6639@inha.edu
Office: 2S312 at Building #2
Workstation: Maxwell
Ju Hyun Yu (유주현)
(2023.04 ~ present)
MS Student, Chemical Engineering
B.S. Student in Chemical Engineering, Inha University
Research topic: [Machine Learning/Molecular Dynamics] Force field development based on Machine Learning model for molecular dynamics application
E-mail: dbwngus119@inha.edu
Office: 2S312 at Building #2
Workstation: Oppenheimer
JinSeok Kang (강진석) (Lab Captain)
(2023.01 ~ present)
MS Student, Chemical Engineering
B.S. in Chemical Engineering, Inha University
Research topic: [Density Functional Theory] Oxygen evolution reaction
E-mail: jinstone2001@inha.edu
Office: 2S312 at Building #2
Workstation: Bohr
Sang Hyun Joo (주상현)
(2024.05 ~ present)
MS Student, Chemical Engineering
B.S. in Chemical Engineering, Inha University
Research topic: [Density Functional Theory] Microkinetic modeling, CH4 activation catalyst
E-mail: jsh0567@inha.edu
Office: 2S312 at Building #2
Workstation: Dirac
Jaehyun Park (박재현)
(2022.09 ~ present)
MS. Student (Part-time), Chemical Engineering at Graduate School of Engineering
[He is a principle research scientist in Korea Testing & Research Institute (KTR)]
Research topic: TBD
E-mail:TBD
Office: TBD
Workstation Name: TBD
Undergraduate Research Assistants
Gyeong Won Seo (서경원)
(2024.09 ~ present) (expected to join graduate school in 03/2026)
Undergraduate Student Researcher
B.S. Student in Chemical Engineering, Inha University
Research topic: TPD
E-mail: N/A
Office: 2S312 at Building #2
Workstation: TBD
Ji Hwan Kim (김지환)
(2025.03 ~ present)
Undergraduate Student Researcher
B.S. Student in Chemical Engineering, Inha University
Research topic: TPD
E-mail: N/A
Office: 2S312 at Building #2
Workstation: TBD
Jihyun Nam (남지현)
(2025.07 ~ present)
Undergraduate Student Researcher
B.S. Student in Industrial Engineering, Inha University
Research topic: TPD
E-mail: N/A
Office: 2S312 at Building #2
Workstation: TBD
Former Group Members (last known position)
Alumni in Inha University (since 2019)
Postdoctoral Researcher/Graduate student (PhD), Shedrack Akpe G. (Postdoctoral Researcher, Baylor University, Texas, USA)
Graduate student (MS),
Elim Kim (Research Engineer, SK hynix, Korea)
Graduate student (MS),
Seok Jun Yoon (Republic of Korea Army, Korea)
Post-doctor researcher (PhD), S. Kamalakannan (Post-doctor researcher in Gustave Eiffel University, Paris, France)
Graduate student (MS),
Ki Seong Song (Research Engineer, AP Green Co., Korea)
Graduate student (MS),
Je Gyu Oh, (Research Engineer, SK Siltron, Korea)
Graduate student (MS),
Ho Chang Song, (PhD student, Dept. of Chem. Eng. Univ of Wisconsin at Madison, USA)
Graduate student (MS),
Hwa Woong Cha (Research Scientist, Data Information Center, Samsung Electronics, Korea)
Graduate student (MS) Geungsang Yoo (Research Scientist, Data Information Center, Samsung Electronics, Korea)
Postdoctoral Scholars
Dr. Dong-Hee Lim (임동희) (Assistant professor in Chungbuk National University, Korea)
Dr. Minsu Kim (김민수) (Postdoctoral fellow, KIST, Korea)
Dr. Sangheon Lee (이상헌) (Assistant professor in Ewha Woman’s University, Korea)
Dr. Chang-Whan Lee (이창환) (Assistant professor in Seoul National University of Science and Technology, Korea)
Dr. Byeong Wan Kwon (권병완) (Assistant professor in Kangwon National University at Samcheok Campus, Korea)
Dr. Chan Hyun Lee (이찬현) (Senior research scientist, KIER)
Dr. S. Kamalakannan (카난) (Post-doctor researcher in Gustave Eiffel University, Paris, France)
Dr. Shedrack Akpe G. (셰드렉) (Postdoctoral Researcher, Department of Chemistry and Biochemistry, Baylor University, Texas, USA)
Graduate Students/Researchers
MS. Juan Martín Hernandez (마틴) (Software developer, ABAT, Mexico)
MS. Chang Eun Kim (김창은) (PhD student, Purdue University, USA)
MS. Hyun Ku Kim (김현구) (PhD student, Yonsei University, Korea)
MS. Mihui Lee (이미희) (Researcher, SK Hynix, Korea)
MS. Joo Hyeng Oh (오주형) (Engineer, GTC, Korea)
MS. Jinwon Cho (조진원) (PhD student, Georgia Institute of Technology, USA)
MS. Min Kyeong Kim (김민경) (Researcher, KIST, Korea)
MS. Saerom Yoo (유새롬) (PhD student, The University of Texas at Austin, USA)
MS. Eoyoon Lee (이어윤) (PhD student, Inha University, Korea) (2020.03~2022.02)
MS. Geungsang Yoo (유근상) (Research Scientist, Data Information Center, Samsung Electronics, Korea) (2020.03~2022.02)
Dr. Seung-Hoon Kim (김승훈) (Postdoctoral Researcher, Fuel Cell Research Center, KIST, Korea) (2017.09~2022.02)
MS. Colbert Ayuk (아육) (He returned to his country due to the personal reason, Nigeria) (2021.03~2022.02)
MS. Je Gyu Oh (오제규) (Research Engineer, SK Siltron, Korea) (2020.09~2022.08)
Dr. Shedrack Akpe G. (셰드렉) (Postdoctoral Researcher, Inha University, Korea) (2019.09~2023.02)
MS. Ho Chang Song (송호창) (PhD student, Dept. of Chem. Eng. Univ of Wisconsin at Madison, USA) (2021.01~2023.02)
MS. Hwa Woong Cha (차화웅) (Research Scientist, Data Information Center, Samsung Electronics, Korea) (2021.01~2023.02)
MS. Ki Seong Song (송기성) (Research Engineer, AP Green Co. [start-up company], Korea) (2022.03~20224.02)
MS. Hyun Ju Lee (이현주) (PhD student, Inha University, Korea) (2022.03~2024.08)
MS. Elim Kim (김엘림) (Research Engineer, SK hynix) (2023. 03~2025.02)
MS. Seok Jun Yoon (윤석준) (Korean Army, Korea) (2023. 03~2025.02)
Visiting Graduate Students/Researchers
MS. Geunsik Lim (임근식) (Researcher, Hanwa chemical, Korea)
MS. Myeog Seok Lee (이명석) (PhD student, The University of Texas at Austin, USA)
BS. Jayoung Yoon (윤자영) (MS student, Ehwa Womans University, Korea)
Dr. Seo Yeon Lim (임서연) (PhD Student, KIST/Korea University, Korea)
Dr. Deok Yeon Jo (조덕연) (Postdoctoral Researcher, KISTI, Korea)
MS. Yun Do Kim (김윤도) (PhD student, Korea University, Korea)
Undergraduate Student Researchers (who performed research projects in our CCEL team)
Hyung Yoon Kim (김형윤) (BS student, University of California at Davis, USA)
Jeong Min Oh (오정민) (BS student, Inha University, Korea)
Su Min Oh (오수민) (BS student, Inha University, Korea)
Hyun Jin Kim (김현진) (BS student, Inha University, Korea)
Seohan Park (박서한) (BS student, Inha University, Korea)
Dahyun Jung (정다현) (BS student, Inha University, Korea)
Ye Hyun Son (손예현) (BS student, Inha University, Korea)
Gyeong Won Seo (서경원) (BS student, Inha University, Korea)
Kim Hui Han (김희한) (BS student, Inha University, Korea)
Ji Hwan Kim (김지환) (BS student, Inha University, Korea)
Undergraduate Student Interns
Young Min Cho (조영민), Won Jae Lee (이원재), Su Hyun Bae (배수현), Jeong Mu Hur (허정무), Eun Cheong Kang (강은총), Jeong Min Oh (오정민), Inha University, Winter, 2021
Kisung Song (송기성), Seok Min Oh (오석민), Su Min Oh (오수민), Ki Eun Sohn (손기은), Jeong Sub Kim (김정섭), Ji Yeon Park (박지연), Inha University, Summer, 2021
Elim Kim (김엘림), and Minki Choi (최민기), Inha University, Winter, 2022
Junseo Park (박준서), Mingyu Park(박민규), Seohan Park(박서한), Juhyun Yu(유주현), Jinwon Seo (서진원), Inha University, summer, 2022
Jinseok Kang (강진석), Jae sung Yang (양재성), Eunseok Cho (조은석), Hyung Kyu Park (박형규) , Inha University, Winter, 2023
Gyubin Kim (김규빈), Eun Seong Yoo (유은성), Jeong Hyun Seo (서정현), Inha University, Summer, 2023
Dahyun Jung (정다현), Inha University, Spring, 2024
Gyeong Won Seo (서경원), Jimin Hyun (현지민), Jin Hee Park (박진희), Soo Yeon Lee (이수연), ye hyun Son (손예현), Inha University, Summer, 2024
Kim Hui Han (김희한) and Park Seung Beom (박승범), Inha University, Winter, 2024
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