Hyungchul Ham Group
(Computational Catalysis and Energy Materials
Design Laboratory)
Department of Chemical Engineering, College of Engineering, INHA University
Welcome to Computational Catalysis and Energy Materials Design Laboratory (CCEL) (Hyungchul Ham Research Group) at Department of Chemical Engineering, Inha University. The objective of our group is to systematically design novel materials for energy conversion/storage applications by using the state-of-the art computational methods such as quantum-mechanics based Density Functional Theory (DFT), Molecular Dynamics (MD), Molecular Mechanics (MM), Monte Carlo (MC) and Machine Learning (ML) approaches. We, computational chemical engineers, use the computers (or parallel computing systems) and computational methods to solve chemical engineering problems in the field of energy (hydrogen, fuel cell, and bio-energy), chemical industry and semiconductor industry and more.
Open Positions
Open position: Postdoctoral researcher in computational heterogeneous catalysis at Inha University, Incheon, South Korea. We invite applications for a postdoctoral researcher in Computational Catalysis and Energy Material Design Lab (CCEL). Qualification: PhD in chemistry, chemical engineering, physics, material science or related fields, Expertise in DFT calculations, Experience with VASP or Quantum Expresso, atomic simulation environment, knowledge of heterogeneous catalysis modeling: Contact point: ham.hyungchul@inha.ac.kr
Open position: Prospective PhD students with a background in chemical engineering, materials engineering, chemistry, physics or other related area are encouraged to apply. If you are interested, please send your CV to Prof. Ham at ham.hyungchul@inha.ac.kr (deadline: 11/15/2022)
Internal Seminar
Speakers:
Eoyoon Lee (Graduate student): Oxygen reduction reaction/Hybrid catalyst
Eun-seung Yoo (Graduate student): Machine learning model development
Elim Kim (Graduate student): Oxygen reduction reaction/Facet Effect
JinSeok Kang (Graduate student): Oxygen reduction reaction/Oxide catalyst
Seok Jun Yoon (Graduate student): NH3 decomposition/Perovskite catalyst
Time: 13:30, 06/27/2024
Room: 60-801B
In the media
(11/2023) Dr. Kamalakannan has won the best paper award in 12th Asia-Pacific Forum on Renewable Energy.
(09/2023) Eoyoon' computational work on aqueous battery with research collaboration with Dr. Oh at KIST has been highlighted in media (Chosun biz).
(04/2023) Hochang has won Outstanding Poster Presentation Award at 2023 Spring Conference of The Korean Institute of Chemical Engineers (KIChE), which has been highlighted in INHA university news.
(10/2022) Hochang has won the RSC poster prize at the 7th Ertl symposium.
(10/2022) Elim has won the best paper award in 11th Asia-Pacific Forum on Renewable Energy.
(07/2022) Our research group has been highlighted in the media such as science 21 and chemical engineering and materials research information center.
(02/2022) Our research output on the computational design of ammonia synthesis catalyst has been highlighted in the media such as National Research Foundation of Korea, Herald Business, and news1.
(11/2019) Prof. Ham' interview as a new faculty member of Inha University.
(11/2019) Deokyeon has received Heomyoung Graduate School Research Award from KIChE.
(07/2019) Our research paper entitled "Combined experimental and density functional theory (DFT) studies on the catalyst design for the oxidative coupling of methane" (with research collaboration with Dr. Ha at KIST) has been highlighted in various media (Yonhap News, HelloDD, The Digital Times, Maeil Business News, Donga Science, I-news24).
(10/2018) Deokyeon has won Outstanding Poster Presentation Award at 2019 Fall Conference of The Korean Institute of Chemical Engineers (KIChE).
(06/2018) Our research paper entitled "Computational and Experimental Design of Active and Durable Ir-based Nanoalloy for Electrochemical Oxygen Reduction Reaction" has been highlighted in various media (Yonhap News, HelloDD, The Digital Times, Maeil Business News, Gas Newspaper).
(08/2015) Jinwon has received Heomyoung Graduate School Research Award from KIChE.
(04/2014) Jinwon has won Outstanding Oral Presentation Award at 2014 Spring Conference of The Korean Institute of Chemical Engineers (KIChE).
CCEL Group NEWS
Go to Older News
(07/2024) CCEL welcome undergraduate student interns: Gyeong Won Seo, Jimin Hyun, Jin Hee Park, Soo Yeon Lee, ye hyun Son. They will learn DFT calculation during summer semester.
(07/2024) Ye Hyun Son joined our research group as an undergraduate student researcher. Welcome!!
(06/2024) Hyun Ju Lee' work entitled "Ultrahigh Electrode Performance of Low-loaded Iridium Jagged Nanotubes for Water Electrolysis Applications” has been accepted in Advanced Energy Materials (experimental collaboration with Dr. Kim from KIST). Congratulation!!
(05/2024) Dr. Kamalakannan' paper entitled "Iron Carbide Anchored on N-doped Hierarchically porous carbon core/shell architecture for highly efficient OER water splitting" has been accepted in International Journal of Hydrogen Energy (experimental collaboration with Prof. Yoong Ahm Kim from Chonnam National University). Congratulation!!
(05/2024) Kamalakannan and Elim Kim' paper entitled "Engineering the Band gap of g-C3N4 Catalyst by the Incorporation of Organic Acid for Efficient Bio-Diesel Production”,has been accepted in Journal of Physical Chemistry C. Congratulation!!
(05/2024) Hyun Ju Lee' paper entitled "Iridium Selenium Oxyhydroxide Shell for Polymer Electrolyte Membrane Water Electrolyzer with Low Ir Loading”,has been accepted in ACS Energy Letter (experimental collaboration with Dr. Yoo from KIST). Congratulation!!
(05/2024) Junghyeon Han and Eun Seong Yoo won Outstanding Poster Award in Catalyst Division in 2024 Spring Meeting of The Korean Institute of Chemical Engineers (KIChE), held in Jeju, Korea, in April 24 - 26, 2024. Congratulation!!
(05/2024) Dr. Kamalakannan' paper entitled "Optimized separation of C2H2 from binary mixtures of C2H2/CO2 and C2H2/C2H4 by coordinative copper(I) metal nodes modified from HKUST-1”,has been accepted in Chemical Engineering Journal (experimental collaboration with Dr. Su Kyeong Lee from KRICT). Congratulation!!
(05/2024) Dr. Kamalakannan' paper entitled "Preferential heteroatom substitution into ZnIn2S4 nanosheets boosts photocatalytic hydrogen production”,has been accepted in Applied Catalysis B: Environmental and Energy (experimental collaboration with Prof. Young-Kwon Park from University of Seoul). Congratulation!!
(05/2024) Our team has been awarded a research project for the computational design of advanced electrode catalyst for PAFC (Phosphoric Acid Fuel Cell) funded by Doosan Fuel Cell.
(05/2024) Sang Hyun Joo joined our research group as an undergraduate student researcher and will seek MS degree in our team. Welcome!!
(05/2024) Dr. Kamalakannan' paper entitled "Tailoring active sites: Metal-coordinated ionic liquid encapsulation of MOF-derived trimetallic catalysts for superior oxygen reduction reaction in flexible Al-air batteries”, has been accepted in Energy Storage Materials (experimental collaboration with Prof. Kim from Jeju National University). Congratulation!!
(04/2024) Eoyoon Lee' paper entitled "Carbon-Embedded Pt Alloy Cluster Catalysts with High Activity and Durability for Proton Exchange Membrane Fuel Cells”, has been accepted in Advanced Energy Materials (experimental collaboration with Prof. Hyunju Lee from KAIST). Congratulation!!
(04/2024) Our CCEL team (Seok Jun Yoon, Eun Seong Yoo,Ju Hyun Yu, Junghyeon Han,Chi Hun Lee, Jin Seok Kang ) attended and presented in 2024 Spring Meeting of The Korean Institute of Chemical Engineers (KIChE), held in Jeju, Korea, in April 24 - 26, 2024
(04/2024) Prof. Manos Mavrikakis (Ernest Micek Distinguished Chair) at University of Wisconsin - Madison delivered a special invited talk about on the nature of the catalytic active site in heterogeneous catalysis in Department of Chemcial Engineering, Inha University
(04/2024) Kiseong Song' paper entitled "Hollow-structured cobalt sulfide electrocatalyst for alkaline oxygen evolution reaction: Rational tuning of electronic structure using iron and fluorine dual-doping strategy”, has been accepted in Journal of Colloid and Interface Science (experimental collaboration with Prof. Baeck from Inha University). Congratulation!!
(03/2024) CCEL welcome undergraduate student interns (Da Hyun Jung). She will learn DFT calculation during spring semester.
(02/2024) Four members of our research group received their MS and MS degrees: Mr. Ki Seong Song , Mr. Eun Seong Yoo and Mr. Hyung Kyu Park, Mr. Ju Hyun Yu. Congratulations to them! Their next positions are a postgraduate researcher at Inha university, graduate students in our research group, respectively.
(02/2024) Prof. Hyung Chul Ham delivered a plenary talk on "Computational Design of Single/Double Atom Catalysts " at the International Conference on Advanced Functional Materials and Devices (AFMD-2024), held in SRM Institute of Science and Technology, Chennai, India (02/26-02/29). In addition, a memorandum of understanding (MoU) between Inha University (Korea) and SRM Institute of Science and Technology (Inida) has been signed. The MoU can symbolize a partnership which can enhance the joint research activity in both institutions.
(01/2024) Hwa Woong Cha' paper entitiled "Adsorbed oxygen atoms for improving the oxidative dehydrogenation of ethane over B-site-doped layered perovskite La2Ti2O7”, has been accepted in Chemical Engineering Journal (experimental collaboration with Dr. Ha JM from KIST). Congratulation!!
(12/2023) Our CCEL team had internal seminar and a year-end party with current and old group members at restaurant in Sheraton Grand Incheon Hotel
(12/2023) Prof. Ham delivered an invited talk on "Atomic-level design of catalyst for electrochemical ammonia synthesis" at the 2023 BrainLink X-Lab Day, held in Pyeongchang, Republic of Korea.
(12/2023) Chi Hun Lee joined our research group as intergrated MS/PhD student researcher. Welcome!!
(11/2023) Dr. Sang Jin Moon visited Department of Chemical Engineering, Inha University and delivered a special invited talks on the Progress and Accomplishments of PAFC (Phosphoric acid fuel cell).
(11/2023) Dr. Kamalakannan attended the 12th Asia-Pacific Forum on Renewable Energy, held in Jeju, Korea. He has won the best paper award.
(11/2023) Dr. Shedrack' paper entitiled “First-principles study on the design of nickel based bimetallic catalysts for xylose to xylitol conversion” has been accepted in Physical Chemistry Chemical Physics(PCCP). Congratulation!!
(10/2023) Our CCEL team (Junghyeon Han, Seok Jun Yoon, Eun Seong Yoo) attended and presented in 2023 Fall Meeting of The Korean Institute of Chemical Engineers (KIChE), held in Daejeon, Korea, in October 24 - 27, 2023
(10/2023) Graduate student, HyunJu Lee had the POSTER presentation (Computational Design of Durable and Selective Double Atom Catalysts Toward the Electrochemical NH3 Production: Role of Carbon Defects) at 244th ECS Meeting in Gothenburg, Sweden.
(09/2023) Prof. Ham gave an invited talk on "Basic Concept of DFT and Catalyst Design" at Annual Meeting, KOREAN ZEOLITE ASSOCIATION (KZA) held in Yeosu, Korea.
(08/2023) Graduate students, Giseong Song & Elim Kim had the POSTER presentations (First-principles design of novel catalysts for CH4 activation and oxygen reduction reaction) at 2023 ACS Fall Meeting, held in San Francisco, CA, USA.
(07/2023) Prof. Ham gave a invited talk on "Computational Chemistry" at the summer school of computational chemistry.
(07/2023) Eoyoon' work entitled "Electrolyte Regeneration Enables Highly Safe Aqueous Rechargeable Batteries” has been accepted in Energy Storage Materials (experimental collaboration with Dr. Oh from KIST). Congratulation!!
(07/2023) CCEL welcome undergraduate student interns (Gyubin Kim, Eun Seong Yoo, Jeong Hyun Seo). They will learn DFT calculation and Machine learning during summer vacation.
(06/2023) Hyun Ju' work entitled "Realizing the Potential of Hydrophobic Crystalline Carbon as a Support for Oxygen Evolution Electrocatalysts" has been accepted in Energy & Environmental Science (experimental collaboration with Dr. Yoo from KIST). Congratulation!!
(06/2023) Ho Chang' paper entitled "On the Role of Metal Cation in MXene in boosting the Catalytic Activity of Single/Double Atom toward Electrochemical NH3 Production”, has been accepted in Chemical Engineering Journal. Congratulation!!
(06/2023) Junghyeon Han will start her research as a graduate student researcher. Welcome!!
(05/2023) Our CCEL team (Elim Kim, Hyun Ju Lee, Kamalakannan, Hyung Kyu Park, Junghyeon Han, Seok Jun Yoon) attended and presented in 2023 Spring Meeting of he Korean Society of Industrial and Engineering Chemistry, held in Jeju, Korea, in May 10 - 12, 2023
(04/2023) Dr. Shedrack' paper entitiled “Highly selective PtCo bimetallic nanoparticles on silica for continuous production of hydrogen from aqueous phase reforming of xylose” has been accepted in International Journal of Hydrogen Energy. Congratulation!!
(04/2023) Dr. Shedrack' paper entitiled “Direct C‒C bond scission of Xylitol to Ethylene and Propylene Glycol Precursors using Single Atom Catalysts (SACs) anchored on MgO” has been accepted in APL materials. Congratulation !!
(04/2023) Our CCEL team (Kiseung Song, Hochang Song) attended and presented in 2023 Spring Meeting of Korean Institute of Chemical Engineer, held in Pusan, Korea, in April 19 - 21, 2023. Honchang has won Outstanding Poster Presentation Award at 2023 Spring Conference of The Korean Institute of Chemical Engineers (KIChE). Congratulation !!
(03/2023) Eoyoon Lee moved to Department of chemical engineering, the University of Texas at Austin (Prof. Hwang Group) to conduct the research on first-principle based ORR catalyst design for ten months as an exchange PhD student.
(02/2023) Three members of our research group received their PhD and MS (Master of Science) degrees: Dr. Shedrack Akpe, Mr. Ho Chang Song and Mr. Hwa Woong Cha. Congratulations to them! Their next positions are a postdoctoral researcher at Inha university, a PhD student in chemical engineering at the University of Wisconsin at Madison, and research scientist in Samsung Electronics, respectively.
(02/2023) Ho Chang' paper entitled "Surface-Functionalized Three-Dimensional MXene Supports to Boost Hydrogen Evolution Activity of Pt Catalysts in Alkaline Media”, has been accepted in Journal of Materials Chemistry A (experimental collaboration with Prof. Kim from Ewha Womans University). Congratulation!!
(01/2023) Seok jun Yoon joined our research group as a graduate student researcher. Welcome!!
(01/2023) Junghyeon Han joined our research group as an undergraduate student researcher. Welcome!!
(01/2023) CCEL welcome undergraduate student interns (Jinseok Kang, Jae sung Yang, Eunseok Cho, Hyung Kyu Park). They will learn DFT calculation and Machine learning during summer vacation.
(01/2023) Jinseok Kang joined our research group as undergraduate student researcher. Welcome!!
(12/2022) Hwa Woong Cha accepted a job offer (research engineer) from DIT (Data & Information Technology) center, Samsung Electronics. Congratulation !!
(12/2022) Ho Chang Song and Hwa Woong Cha successfully defended their M.S Thesis. Congratulate Ho Chang and Hwa Woong !!
(12/2022) Shedrack (PhD student) has successfully passed the final PhD defense. Congratulation !! Dr. Shedrack.
(11/2022) Shedrack (PhD student) gave a oral talk at 2022 AIChE Annual Meeting, held in Phoenix, AZ, USA from November 13 to 18. The title for poster is “Ab Initio Study on the Reaction Kinetics of Ethylene Glycol Decomposition on Pt (111) and Pt3sc (111)”
(11/2022) Undergraduate student Elim' paper entitled "Boosting the Transesterification Reaction by Adding a Single Na Atom into g-C3N4 Catalyst for Biodiesel Production: A First-Principles Study" has been accepted to Energies.
(10/2022) Prof. Ham, and Hochang attended the 7th Ertl symposium, held in Gwangju, Korea. Graduate student Honchang has won the RSC poster prize at the 7th International Ertl symposium.
(10/2022) Hyung Kyu Park joined our research group as undergraduate student researcher. Welcome!!
(10/2022) Eoyoon Lee (PhD student) delivered the oral presentation at 2022 Fall Meeting of Korean Institute of Chemical Engineer, held in Busan, Korea. The title for talk is “Sub-Nanocluster Carbon-Metal Hybrid Catalysts for the Oxygen Reduction Reaction” and Hyun Ju and Elim presented poster in computational chemistry section.
(10/2022) Eoyoon Lee (PhD student) presented a poster at 242nd ECS(electrochemical society) meeting, held in Atlanta, GA, USA from October 9 to 13. The title for poster is “First-Principles Study on Pt-Based Sub-Nanocluster Carbon-Metal Hybrid Catalysts for the Oxygen Reduction Reaction”
(10/2022) Shedrack, and Elim attended the 11th Asia-Pacific Forum on Renewable Energy, held in Jeju, Korea. Elim has won the best paper award.
(09/2022) Our CCEL team with the collaboration of KAIST team applied for the patent entitled "Sub-nanocluster catalysts with carbon shell, ultra-low platinum loadings and its alloy for oxygen reduction reaction".
(09/2022) Mr. Jaehyun Park has joined our CCEL. He is MS. student in department of chemical Engineering at Graduate School of Engineering.
(09/2022) Dr. S. Kamalakannan joined our research group as postdoctoral researcher. Welcome!!
(09/2022) Seohan Park joined our research group as undergraduate student researcher. Welcome!!
(08/2022) Eoyoon' paper entitled "Unravelling the Effect of A-site Sr-doping in Double Perovskites Ca2-xSrxScRuO6 (x = 0 & 1): Structural Interpretation and Mechanistic Investigations of Trifunctional Electrocatalytic Effect" has been accepted to ACS Applied Energy Materials. This provide a theoretical explanation on the experimental work of KIST
(08/2022) Prof. Ham delivers a technical seminar on "Computational understanding of active sites for fuel cell reactions " at the R&D center, Doosan Fuel cell.
(07/2022) CCEL welcome undergraduate student interns (Junseo Park, Mingyu Park, Seohan Park, Juhyun Yu, and Jinwon Seo). They will learn DFT calculation and Machine learning during summer vacation.
(07/2022) Prof. Geun Ho Gu (KENTECH) gave a seminar "Interfacing Data Science for Accelerated Materials Science"
(07/2022) Je Gyu Oh accepted a job offer (research engineer) from SK siltron. Congratulation !!
(07/2022) Hyun Ju Lee finished her undergraduate student researcher and will continue to study DFT calculation to earn her MS degree in our team.
(06/2022) Our team was awarded to a research project for the computational design of advanced electrode catalyst for PAFC (Phosphoric Acid Fuel Cell) , which is funded by Doosan Fuel Cell.
(05/2022) Eoyoon' paper entitled "First-principles Design of Hetero CoM (M = 3d, 4d, 5d Block Metals) Double Atom Catalysts for Oxygen Evolution Reaction in alkaline condition" has been accepted to Nanoscale Advance. Congratulation !!
(05/2022) Dr. Lee, Ms. Kim, and Dr. Kim' paper entitled "Aqueous Phase Reforming of Xylose using the Bimetallic PtRe/SiO2 Catalysts for H2 Production: Impact of oxidation level" has been accepted to International Journal of Energy Research. Congratulation !!
(04/2022) Our CCEL team (Eoyoon Lee, Shedrack, Kiseung Song, Elim Kim) attended 2022 Spring Meeting of Korean Institute of Chemical Engineer, held in Jeju, Korea.
(04/2021) Prof. Ham delivers an invited keynote talk on "First-principles study of the surface reactivity of hydrogen and fuel cell catalysts" at the computational chemistry symposium at 2022 Spring Meeting of Korean Institute of Chemical Engineer, held in Jeju, Korea
(04/2022) Dr. Kim' paper entitled "A Sacrificial Dopant to Enhance the Activity and Durability of Electrochemical N2 Reduction Catalysis" has been accepted to ACS Catalysis (which provide a theoretical explanation on the experimental work of Dr. Park at KIST). Congratulation !!
(04/2022) QS World University Ranking for Chemical Engineering of INHA university is 151-200. Click here QS ranking and financial news for more information.
since 06/2019
