Hyungchul Ham Group
(Computational Catalysis and Nanomaterials
Science Lab)
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Welcome to Computational Catalysis and Nanomaterials Science Laboratory (CCNM) (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 Nanomaterials Science Lab (CCNM). 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
Internal Seminar
Date & Time: 13:30, Thursday, June 18th, 2026
Location: 60th building seminar room
Presenters:
CCNM graudate students
In the media
(11/2025) Our research output on the machine learning/quantum mechanics -based catalyst design has been highlighted in INHA university news
(10/2025) Hyeong Kyu Park has won Outstanding Poster Presentation Award at 2025 Fall Meeting of the Korean Society of Industrial and Engineering Chemistry, held in Daegu, Republic of Korea.
(06/2025) Ju Hyun Yoo has won Outstanding Poster Presentation Award at 2025 Spring Meeting of the Korean Society of Industrial and Engineering Chemistry, held in Jeju, Republic of Korea.
(04/2025) Chi Hun Lee has won Outstanding Poster Presentation Award at 2025 Spring Meeting of the Korean Vacuum Society (KVS), held in pyeongchang, Republic of Korea.
(11/2024) Hyun Ju Lee has won Outstanding Oral Presentation Award at 2024 Fall Conference of The Korean Institute of Chemical Engineers (KIChE), held in Busan, Korea, which has been highlighted in INHA university news and media such as etnews, Newsis, Incheon News, Professor newspaper.
(09/2024) Jung Hyun Han has won Outstanding Poster Presentation Award at 2024 ACS Fall Meeting held in Denver, Colorado, USA, which has been highlighted in INHA university news and media such as Incheon Today, Daehan Economy, Incheon News, Professor newspaper.
(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 2018 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).
CCNM Group NEWS
Go to Older News
(06/2026) Eoyoon Lee (PhD student) has successfully passed the final PhD defense. Congratulation !! Dr. Lee.
(06/2026) Our collarobation work (Eun Seong Yoo conducted DFT calculation) with Dr. Sohn of KIST entitled "Active Nitrogen Mediated Selective Ruthenium Migration on Ceria for High Pressure Ammonia Decomposition" has been published in Nature Communications.
(05/2026) JinSeok Kang presented the Poster in E-MRS meeting 2026, helded in Strasburg, France (May 24 - 29).
(04/2026) Our colaboration work (Eoyoon Lee conducted DFT calculation) with KIST (Dr. Kim) has been published in Chemical Engineering Journal. The title of paper is "Scalable synthesis of twinned iridium nanorods via thioiridate-mediated thermal reduction for efficient oxygen evolution”.
(04/2026) Chi Hun Lee, Hyun Ju Lee, Jun Ha Ahn had the oral and poster presentations at 2026 Spring Meeting of KIChE, held in jeju, Republic of Korea, April 22 - 24, 2026.
(04/2026) Prof. Ham gave a tutorial lecture on graph attention network and catalyst design in 2026 spring meeting of KIChE, held in Jeju.
(04/2026) Our team has been awarded a research project for the Computational Chemistry and Machine Learning-Based Catalyst Design for Direct Conversion of Cellulosic Biomass funded by National Research Foundation(NRF).
(04/2026) Sung Bin An joined our research group as an undergraduate student researcher. Welcome!!
(03/2026) Byun Hyeong Min and Ah young Lee joined our research group as an undergraduate student researcher. Welcome!!
(03/2026) Sanghyung Joo presented the Poster in ACS Spring 2026, helded in Atlanta, GA, USA (March 22 - 26).
(03/2026) Gyeong Won Seo, Jun Ha Ahn joined our CCNM research group as master student.
(02/2026) Chi Hun Lee, Hyun Ju Lee of our research group presented the joint symposium between Institute of Science Tokyo. (formly, Tokyo Institute of Technology) and Inha University.
(02/2026) Eun Seong Yoo, Hyeong Kyu Park, and Juhyun Yoo of our research group received their MS (Master of Science). Congratulations !!
(02/2026) Our collarobation work (Hyeong Kyu Park conducted DFT calculation) with Dr. Oh of KIST entitled “Moisture-tolerant Mg-metal electrodes for practical fabrication of rechargeable Mg batteries”, has been published in Nature Communications.
(02/2026) Our collarobation work (Dr. Kannan conducted DFT calculation) with Ewha Womans' Unviersity (Prof. Kim) has been published in Advanced Energy Materials. The title of paper is "In Situ Mechanistic Study of Plasmon-Governed Reaction Pathways in Li−O2 Batteries With a Au@MOF Cathode”.
(01/2026) Prof. Ham visited Department of Chemical Engineering, National Taiwan University (NTU) and discussed the possible future research collaboration.
(02/2026) Our collarobation work (Hyeong Kyu Park conducted DFT calculation) with Dr. Oh of KIST entitled “Moisture-tolerant Mg-metal electrodes for practical fabrication of rechargeable Mg batteries”, has been published in Nature Communications.
(02/2026) Our collarobation work (Dr. Kannan conducted DFT calculation) with Ewha Womans' Unviersity (Prof. Kim) has been published in Advanced Energy Materials. The title of paper is "In Situ Mechanistic Study of Plasmon-Governed Reaction Pathways in Li−O2 Batteries With a Au@MOF Cathode”.
(01/2026) Prof. Ham visited Department of Chemical Engineering, National Taiwan University (NTU) and discussed the possible future research collaboration.
(01/2026) Byeonghyun Min, Moon Su Cha, and Suin Choi joined our research group as an undergraduate student interns during winter vacation. Welcome!!
(01/2026) Hojun Kim joined our research group as an undergraduate student researcher. Welcome!! He will conduct DFT calculation on catalysis.
(01/2026) Our collarobation work (Dr. Shedrack conducted DFT calculation) with KIST (Dr. Ha) has been published in Applied Catalysis O: Open. The title of paper is "Hydrodeoxygenation of lignin-derived guaiacol using ruthenium-titanium-oxide aerogel catalysts”.
(01/2026) Our collarobation work (Elim. Kim conducted DFT calculation) with KAIST (Prof. Cho) has been published in Chemical Engineering Journal. The title of paper is "Curvature-tailored Sub-50 nm TiO2 support for enhanced performance and durability of Ir catalysts in PEM water electrolysis”.
(01/2026) Our collarobation work (Dr. Kannan conducted DFT calculation) with India ("Influence of Stoichiometric Variation of 3d-4d Transition Metal Ions in Disordered Double Perovskite for Bifunctional Electrocatalysis”) has been accepted in Chemistry of Materials.
(01/2026) Our collarobation work (Hyunju Lee conducted DFT calculation) with KIST (Dr. H. Park) has been published in ACS Catalysis. The title of paper is "Low-temperature electrocatalytic ammonia production: Study on the nitrogen-reducing activity of vanadium sulfide catalysts” .
(12/2025) Dr. kannan have been appointed as the Assistant Professor at SRM Institute of Science and Technology (SRMIST). Congratualtion!!
(12/2025) Junghyeon Han has accepted the position of Researcher at Wonik IPS. Congratulations to Junghyeon Han on this exciting opportunity !!
(11/2025) Hyung Kyu Park has won Outstanding POSTER Presentation Award at 2025 Fall Meeting of The Korean Society of Industrial and Engineering Chemistry, held in Daegu, Republic of Korea, Novemebr 5- 7, 2025. Congratulation !!
(10/2025) Shedrack Akpe, Junghyeon Han, and Elim Kim' work entitled "Rational Design of Bimetallic Pt3M (M = transition metals) catalyst for Hydrogen Production via Ethylene Glycol Decomposition: Combined Machine Learning, Density Functional Theory, and Experimental Approach” (experimental collaboration with Dr. Sohn, Dr. Choi from KIST) has been accepted in ACS Catalysis. Congratulation!!
(09/2025) Our team has been awarded a research project for the computational design of bifunctional catalyst funded by National Research Foundation(NRF).
(09/2025) Jun Ha Ahn joined our research group as an undergraduate student researcher. Welcome!!
(08/2025) Chi Hun Lee (graduate students) had the Poster presentations at 2025 ACS Fall Meeting held in Washington DC, USA.
(08/2025) Junghyeon Han (title:iomass reforming catalyst design for Hydrogen production from machine learning model and density functional theory) of our research group received their MS (Master of Science). Congratulations !!
(08/2025) Prof. Ham gave a talk on Catalyst design using machine learning and computational chemistry, Technical Seminar, Korea Research Institute of Chemical Technonology (KRICT), Deajeon, Korea.
(07/2025) Prof. Ham gave a talk on computational design of ORR catalyst for PEMFC application in Joint Summer Symposium: Thermodynamics, Molecular Simulation, and Separation Technologies, held in July 10-11, Kangwon National University, Chuncheon, Korea.
(07/2025) Our research laboratory has undergone a name change to Computational Catalysis and Nanomaterials Science Lab (CCNM).
(07/2025) Jun Ha Ahn, Woo Sung Kown, and Ji Won Kim joined our research group as an undergraduate student interns during summer vacation. Welcome!!
(07/2025) Jihyun Nam joined our research group as an undergraduate student researcher. Welcome!! She will conduct the H2 Database preparation.
(07/2025) Elim Kim has accepted the position of Research Engineer at SK hynix. Congratulations to Elim Kim on this exciting opportunity !!
(05/2025) Hyung Kyu Park (graduate students) had the Poster presentations (DFT-based design of metal-embebed CNT catalyst for ORR) at The 29th North American Catalysis Society Meeting (NAM29) held in June 8, 2025 to June 13, 2025. Hyatt Regency Atlanta, GA , USA.
(06/2025) Eo Yoon Lee' work entitled "High Performance Bimetallic PtM (M=Co, Rh, Ta, Re) Carbon-Metal Hybrid Catalysts Featuring Sub-nanoclusters for the Oxygen Reduction Reaction via Facile H2O2 Decomposition” has been accepted in Applied Surface Science Advances. Congratulation!!
(06/2025) Juhyun Yoo has won Outstanding POSTER Presentation Award at 2025 Spring Meeting of The Korean Society of Industrial and Engineering Chemistry, held in Jeju, Republic of Korea, June 2 - 5, 2025. Congratulation !!
(06/2025) Chi Hun Lee, Juhyun Yoo (graduate students) had the Poster presentations at 2025 Spring Meeting of The Korean Society of Industrial and Engineering Chemistry, held in jeju, Republic of Korea, June 2 - 5, 2025.
(05/2025) Hwa Woong Cha, Ki Seong Song, and Shedrack Akpe' work entitled "Ni-Based Bimetallic Surface Alloy Catalysts for Enhanced Poisoning Resistance in Steam Methane Reforming: A Combined DFT and Experimental Study" has been accepted in The International Journal of Hydrogen Energy (experimental collaboration with Prof. Baeck from Inha University). Congratulation!!
(05/2025) Hyun Ju Lee, Juhyun Yoo (graduate students) had the Poster presentations (Quantum-based catalyst design for nitrogen reduction, MD study on polymer electrolyte membrane) at 2024 ECS Spring Meeting held in Palais des Congrès de Montréal Canada.
(05/2025) Eo yoon Lee' work entitled "Unveiling the Role of V and P Dual‐Doping in Ni3S2 Nanorods: Enhancing Bifunctional Electrocatalytic Activities for Anion Exchange Membrane Water Electrolysis" has been accepted in Small Structures (experimental collaboration with Prof. Baeck from Inha University). Congratulation!!
(05/2025) Chi Hun Lee has won Outstanding POSTER Presentation Award at 2025 Spring Meeting of the Korean Vacuum Society (KVS), held in pyeongchang, Republic of Korea, Febraury 10 - 12, 2025. Congratulation !!
(04/2025) Professor Ham delivered a technical seminar titled “Forward and Inverse Design of Thermal and Electrochemical Catalysts using Machine Learning and Density Functional Theory (DFT)” at SK Innovation, Daejeon, Republic of Korea.
(04/2025) Our CCEL team (Eun Seong Yoo and Jinseok Kang) attended and presented at the 2025 Fall Meeting of the Korean Institute of Chemical Engineers, which was held in Daegu, Republic of Korea, from April 23rd to 25th, 2025.
(04/2025) Our team has been awarded a research project for the computational understanding of electrolyte/Pt in PEMFC funded by National Research Foundation(NRF).
(04/2025) Our CCEL team (Hyun Ju Lee, Dahyun Jung) attended and presented in 2025 Spring Meeting of the Korean Electrochemical Society(KECS), held in Jeju, Republic of Korea, Arpil 2 - 4, 2025
(04/2025) Our team has been awarded a research project for the H2 database prepration funded by Korea Environmental Industry & Technology Institute (KEITI).
(04/2025) Elim Kim' work entitled "Oxygen-functionalized melem as a stable heterogeneous catalyst for free fatty acid esterification in low-grade biodiesel feedstocks" has been accepted in Fuel Processing Technology (experimental collaboration with Dr. Kim from KIER). Congratulation!!
(03/2025) Elim Kim' work entitled "Syngas formation via chemical looping of methane process using Y1La0.6Gd0.4O3 as a novel oxygen carrier" has been accepted in Fuel (experimental collaboration with Prof. Park from University of Seoul). Congratulation!!
(03/2025) Sachin Rautela joined our research group as an PhD graduate student researcher. Welcome!!
(03/2025) Kim Hui Han and Ji Hwan Kim joined our research group as an undergraduate student researcher. Welcome!!
(03/2025) Eoyoon Lee moved to experimental group of KIST (Dr.Kim) where he will validate his theoretical prediction by using experimental technique.
(02/2025) Dr. Shedrack Akpe has accepted a postdoctoral position offer from Department of Chemistry and Biochemistry, Baylor University, Texas, USA. He will continue his research in the area of computational chemistry. Congratulations !!
(02/2025) Seok Jun Yoon (title:First principles Design of single/double atom catalysts in SrTiO3 perovskite for NH3 decomposition) and Elim Kim (title: Facet and high entropy effect in Pd-based alloy catalysts in boosting oxygen reduction reaction for fuel cell application) of our research group received their MS (Master of Science). Congratulations !!
(02/2025) Our CCEL team (Eun Seong Yoo, Chi Hun Lee) attended and presented in 2025 Spring Meeting of the Korean Vacuum Society(KVS), held in pyeongchang, Republic of Korea, Febraury 10 - 12, 2025
(01/2025) Eoyoon Lee' work entitled "Anchoring ordered PtZn nanoparticles on MOF-derived carbon support for efficient oxygen reduction reaction in proton exchange membrane fuel cells” has been accepted in Chemical Engineering Journal (experimental collaboration with Prof. Cho from KAIST). Congratulation!!
(01/2025) Kim Hui Han and Park Seung Beom joined our research group as an undergraduate student interns. Welcome!!
(11/2024) Dr. Kamalakannan (POSTDOC) accepted a job offer (Post-doctor researcher) from Gustave Eiffel University, Paris, France. Congratulation!!
(11/2024) Hyun Ju Lee has won Outstanding Oral Presentation Award at 2024 Fall Conference of The Korean Institute of Chemical Engineers (KIChE), held in Busan, Republic of Korea. Congratulation!!
(10/2024) Our CCEL team (Eoyoon Lee, Hyun Ju Lee, Sang Hyun Ju, Hyeong Kyu Park) attended and presented in 2024 Fall Meeting of The Korean Institute of Chemical Engineers (KIChE), held in Busan, Republic of Korea, in April 16 - 18, 2024
(10/2024) Ki Seong Song has accepted the position of Research Engineer at AP Green Co., a newly established company. Congratulations to Ki Seong Song on this exciting opportunity!
(10/2024) Our CCEL team (Eoyoon Lee, Hyun Ju Lee, Junghyeon Han) attended and presented in 2024 Fall Meeting of the Korean Society of Industrial and Engineering Chemistry, held in Gwangju, Republic of Korea, October 30 - Novemebr 1, 2024
(11/2024) Eun Seong Yoo (MS student) gave a poster presentation at 2024 AIChE Annual Meeting, held in San Diego Convention Center, San Diego, CA, USA from October 27 to 31. The title for poster is “High throughput screening of High Entropy Alloy Catalysts for Oxygen reduction reaction through graph attention network”
(09/2024) Prof. Ham has been promoted to tenured full professor. Thank you for all current and previous members of computational catalysis and energy materials design lab.
(09/2024) Hoyung Lim and Seok Jun Yoon' paper entitled "Recent advancement of non-noble metal catalysts for hydrogen production by NH3 decomposition" has been accepted in Renewable and Sustainable Energy Reviews (collaboration with Prof. See Hoon Lee from Jeonbuk National University). Congratulation!!
(08/2024) Gyeong Won Seo joined our research group as an undergraduate student researcher. Welcome!!
(08/2024) Our team has been awarded research project for the computational design of novel catalysts for Sensor, Toxic gas removals funded by Samsung Electronics.
(08/2024) Junghyeon Han won ACS CATL Division POSTER Award in 2024 ACS Fall National Meeting, held in Denver, Colorado, USA [Topic: Catalyst design for H2 production via the reforming of unused biomass through the deep neural networks and conditional generative models]. Congratulation!!
(08/2024) Dr. Kamalakannan (POSTDOC), Seok Jun Yoon, Junghyeon Han (graduate students) had the Oral and Poster presentations (Quantum-based catalyst design for CO2 reduction, NH3 production and generative machine learning model) at 2024 ACS Fall Meeting held in Denver, Colorado, USA.
(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.
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