Publications

• Yoon, S.+; Ga, S.+; Park, J.+; Mun, H.; I. Lee*, Chung, Y.G.*
  "Modeling, screening, and techno-economic evaluation of metal-organic frameworks for boil-off gas capture during intercontinental transportation of LNG"

• Byun, J.S.; Kim, W.I.; Baek, S.H.; Hao, F.; Chung, Y.G.; Park, H.S.*
  "Polyoxometalate initiated in-situ conformal coating of multifunctional hybrid artificial layers for high performance zinc metal anodes"

• Yoon, S.+; Hassan, M.+; Chung, Y.G.*
  "Multiscale computational modeling and process economic optimization of all-silica zeolites for adsorptive separation of ternary (H2S/CO2/CH4) gas mixture

• Chung, Y.G.*; Chen Y.
  Comments on "Formation of a super-dense hydrogen monolayer on mesoporous silica"

• Zhao, G.; Chung, Y.G.*
  "PACMAN: A Robust Partial Atomic Charge Predicter for Nanoporous Materials based on Crystal Graph Convolution Networks"

Journal of Chemical Theory and Computation, in press

• Gu, Y.#; Yoon, S.#; Babu, R.; Chung, Y.G.; Park, D.W.*
  "Linker defect assisted catalytic fixation of CO2 in a dual-linker metal-organic framework"
  Reaction Kinetics, Mechanisms, and Catalysis, in press

• Cai, Z.; Li, W.*; Chung, Y.G.; Li, S.; Liang, T.; Wu, T.
  "Transfer learning-assisted computational screening of metal-organic frameworks and covalent-organic frameworks for the separation of Xe/Kr noble gas"
  Separation and Purification Technology, 348, 127752, (2024)

• Kim, D.W.#; Chen, Yu#; Kim, H.; Kim N.; Lee, Y.H.; Oh, H.; Chung, Y.G.*; Hong, C.S.*
  "High Hydrogen Storage in Trigonal Prismatic Monomer-based Highly Porous Aromatic Frameworks"
  Advanced Materials, in press

• Kang, T.; Nakhanivej, P.; Wang, K.J.; Chen, Y.; Chung, Y.G.; Park, H.S.*
  "Anion storing, oxygen vacancy incorporated perovskite oxide composites for high-performance aqueous dual ion hybrid supercapacitors"
  Journal of Energy Chemistry, 94, pg. 646 - 655, (2024)

• Zhao, G.#; Kim, H.#; Yang, C.W.; Chung, Y.G.*
  "Leveraging Machine Learning to Predict the Atmospheric Lifetime and the Global Warming Potential (GWP) of SF6 Replacement Gases"
  Journal of Physical Chemistry A, 128(12), 2399 - 2408,  (2024)

• Moghadam, P.Z.#; Chung, Y.G.#; Snurr, R.Q.*
  "Progress toward the computational discovery of new MOF adsorbents for energy applications"
  Nature Energy, 9, 121–133 (2024)

  • Media Coverage: [부산일보], [연합뉴스], [CNB 뉴스], [Northwestern Engineering News], [University College London Chemical Engineering News]

• Gu, Y.#; Yoon, S.#; Babu, R.; Cho, S.J.; Chung, Y.G.*; Park, D.W.*
  "Synthesis and characterization of bimetallic ZnCo-ZIF-71 with defect for an efficient catalytic CO2 conversion"
  Korean Journal of Chemical Engineering, 41, 749–761, (2024) 

• Zhao, G.; Chen, Y.; Chung, Y. G.*
  "High-Throughput, Multiscale Computational Screening of Metal-Organic Frameworks for Xe/Kr Separation with Machine-Learned Parameters"
  Industrial & Engineering Chemistry Research, 62 (37), 15176 - 15189, (2023)

• Han, S.#; Lee, S.#; Kim, D.; Seong, J.; Sharma, A.; Lim, J.; Zhao, G.; Chen, Y.; Baek, S. B.; Chung, Y. G.*; Lah, M. S.*
  "Construction of Chimeric Metal-Organic Frameworks with Symmetry-Mismatched Building Blocks"
  Chemistry of Materials, 35 (15), 5903 - 5913, (2023)

• Baek, S. H.; Byun, J. S.; Kim, H. J.; Lee, S. J.; Park, J. M.; Xiong, P.; Chung, Y. G.*; Park, H. S.*
  "Polyoxometalate–Polymer Hybrid Artificial Layers for Ultrastable and Reversible Zn Metal Anodes"
  Chemical Engineering Journal, 468, 143644 (2023)

• Terrones, G.G.; Chen, Y.; Datar, A.; Lin, LC; Kulik, H.J.; Chung, Y.G.*
  "SESAMI APP: An Accessible Interface for Surface Area Calculation of Materials from Adsorption Isotherms"
  Journal of Open Source Software, 8 (86), 5429 (2023)

• Nandy, A.; Yue, S.; Oh, C.; Duan, C.; Terrones, G.G.; Chung, Y.G.; Kulik, H.J.*
  "A database of ultrastable MOFs reassembled from stable fragments with machine learning models"
  Matter 6 (5), 1585 - 1603, (2023)

• Lee, G.H.; Jang E.; Lee, T.; Jeong, Y.; Kim, H.; Lee, S.; Chung, Y.G.; Ha, K.S.; Baik, H.; Jang, H-G.; Cho, S.J.*; Choi, J.K.*
  "Effective delamination of a layered two-dimensional MCM-22 zeolite: Quantitative insights into the role of the delaminated structure on acid catalytic reactions"
  Catalysis Today 411, 113856, (2023)

• Liu, Y.; Shen, D.; Tu,  Z.; Xing, L.; Chung, Y.G.; Li, S.*
  "Room-Temperature Hydrogen Storage Performance of Metal-Organic Framework/Graphene Oxide Composites by Molecular Simulations"
  International Journal of Hydrogen Energy, 47 (97), 41055-41068, (2022)

• Lee, S.; Kevlishvili, I.; Kulik, H.J.; Kim, H-T.; Chung, Y.G.*; Koh, D.Y.*
  "Highly Efficient Bromine Capture and Storage using N-containing Porous Organic Cages"
  Journal of Materials Chemistry A, 10 (46), 24802-24812 (2022)

• Datar, A.#;  Yoon S.#; Lin L.C.*; Chung, Y.G.*
  "Brunauer–Emmett–Teller Areas from Nitrogen and Argon Isotherms Are Similar"
  Langmuir, 38 (38), 11631-11640 (2022)

• Ga, S.; Chung, Y.G.*
  "Recent advances in software tools for adsorption science and engineering"
  Molecular Systems Design & Engineering, 6, 686 - 701 (2022)

• Gu, Y.; Bai, A.; Yoon, S.; Chung, Y.G.*; Park, D.W.*
  "Defect-engineered MOF-801 for cycloaddition of CO2 with epoxides"
  Journal of Materials Chemistry A  6 (5), 1585 - 1603, (2022)

• Kim, S.Y.#;  Han, S.#;  Lee, S.;  Kang, J.H.;  Yoon, S.; Park, W.; Shin, M.W.;  Kim, J.; Chung, Y.G.*; Bae, Y.S.*
  "Discovery of High-Performing Metal-Organic Frameworks for On-Board Methane Storage and Delivery via LNG–ANG Coupling: High-Throughput Screening, Machine Learning, and Experimental Validation"
  Advanced Science 9 (21), 2201559, (2022)

• Kurniawan, D.;  Bai, A.A.; Setiawan, O.; Ostrikov,  K.K; Chung, Y.G.*; Chiang, W.H.*
  "Microplasma Band Structure Engineering in Graphene Quantum Dots for Sensitive and Wide-Range pH Sensing"
  ACS Applied Materials & Interfaces 14 (1), 1670-1683 (2022)

• Cha, J.#; Ga, S.#; Lee, S.; Nam, S.; Bae, Y.S.*; Chung, Y.G.*
  "Integrated material and process evaluation of metal-organic frameworks database for energy-efficient SF6/N2 separation"
  Chemical Engineering Journal, 426, 131787 (2021)

• Yoon, S.; Chung, Y.G.*
  "Limitation of model-based estimations of the hydrogen adsorption capacities in nanoporous materials: a molecular simulation study"
  Bulletin of the Korean Chemical Society 42 (11), 1539-1548  (2021)

• Seo, H.; Yoon, S.; Oh, B.; Chung, Y.G.; Koh, D.Y.*
  "Shape‐Selective Ultramicroporous Carbon Membranes for Sub‐0.1 nm Organic Liquid Separation,"
  Advanced Science 8 (17), 2004999  (2021)

• Kang, M.#; Yoon, S.#; Ga, S.#; Kang, D.W.; Han, S.; Choe, J.H.; Kim, H.; Kim, D.W.; Chung, Y.G.*; Hong, C.S.*
  "High‐Throughput Discovery of Ni(IN)2 for Ethane/Ethylene Separation"
  Advanced Science 8 (11), 2004940  (2021)

• Yeh, P.C.#; Yoon, S.#; Kurniawan, D.; Chung, Y.G.*; Chiang, W.H.*
  "Unraveling the fluorescence quenching of colloidal graphene quantum dots for selective metal ion detection"
  ACS Applied Nano Materials 4 (6), 5636-5642  (2021)

• Kwon, H.; Oh, K.C.; Choi, Y.; Chung, Y.G.; Kim, J.*
  "Development and application of machine learning‐based prediction model for distillation column"
  International Journal of Intelligent Systems 36 (5), 1970-1997  (2021)

• Song, D.H.; Kang, J.H.; Park, H.S.; Chung, Y.G.; Song, H.*
  "Simultaneous Removal of NO and SO2 using Microbubble and Reducing Agent"
  Clean Technology 27 (4), 341-349  (2021)

• Datar, A.; Chung, Y.G.*; Lin, L.C.*
  "Beyond the BET analysis: The surface area prediction of nanoporous materials using a machine learning method."
  Journal of Physical Chemistry Letters 11 (14), 5412-5417 (2020)

• Kwon, H.; Oh, K.C.; Chung, Y.G.; Cho, H.; Kim, J.*
  "Development of machine learning model for predicting distillation column temperature"
  Applied Chemistry for Engineering 31 (5), 520-525 (2020)

• Kang, S.; Chung, Y.G.; Kang, J.H.; Song, H.*
  "CO2 absorption characteristics of amino group functionalized imidazolium-based amino acid ionic liquids."
  Journal of Molecular Liquids 297, 111825 (2020)

• Nguyen, C.V.#; Lee, S.#; Chung, Y.G.*; Chiang, W.H.*; Wu, K.C.W.*
  "Synergistic effect of metal-organic framework-derived boron and nitrogen heteroatom-doped three-dimensional porous carbons for precious-metal-free catalytic reduction of nitroarenes."
  Applied Catalysis B: Environmental 257, 117888 (2019)

• Chung, Y.G.#*; Haldoupis, E.#; Bucior, B.J.#; Haranczyk, M.; Lee,  S.; Zhang, H.; Vogiatzis, K.D.; Milisavljevic, M.; Ling, S.; Camp, J.S.; Slater, B.; Siepmann, J.I.*;  Sholl, D.S.*; Snurr, R.Q.*
  "Advances, updates, and analytics for the computation-ready, experimental metal-organic framework database: CoRE MOF 2019"
  Journal of Chemical & Engineering Data 64 (12), 5985-5998 (2019)

• Sturluson, A.; Huynh, M.T.; Kaija, A.R.; Laird, C.; Yoon, S.; Hou, F.; Feng, Z.; Wilmer, C.E.*; Colón, Y.J.*; Chung, Y.G.*; Siderius, D.W.*; Simon, C.M.*
  "The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation"
  Molecular Simulation, 45 (14-15), 1082-1121 (2019)

• Kim, S.I.#; Lee, S.#; Chung, Y.G.*; Bae, Y.S.*
  "The Origin of p-Xylene Selectivity in a DABCO Pillar-Layered Metal-Organic Framework: A Combined Experimental and Computational Investigation."
  ACS Applied Materials & Interfaces 11 (34), 31227-31236 (2019)

• Sinha, P.#; Datar, A.#; Jeong, C.; Deng,  X.; Chung, Y.G.*; Lin, L.C.*
  "Surface area determination of porous materials using the Brunauer–Emmett–Teller (BET) method: limitations and improvements"
  Journal of Physical Chemistry C 123 (33), 20195-20209 (2019)

• Leperi, K.T.#; Chung, Y.G.#; You, F.*; Snurr, R.Q.*
  "Development of a General Evaluation Metric for Rapid Screening of Adsorbent Materials for Post-combustion CO2 Capture"
  ACS Sustainable Chemistry & Engineering 7 (13), 11529-11539 (2019)

• Lee, J.H.; Jeoung, S.; Chung, Y.G.*; Moon, H.R.*
  "Elucidation of flexible metal-organic frameworks: Research progresses and recent developments,"
  Coordination Chemistry Reviews 389, 161-188 (2019)

• Choi, G.G.; Kurisingal, J.F.; Chung, Y.G.*; Park, D.W.*
  "Two-dimensional Zn-stilbene-dicarboxylic acid (SDC) metal-organic frameworks for cyclic carbonate synthesis from CO2 and epoxides,"
  Korean Journal of Chemical Engineering 35, 1373-1379 (2018)

• Jeong, G.S.; Kathalikkattil, A.C.; Babu, R.; Chung, Y.G.; Park, D.W.*
  "Cycloaddition of CO2 with epoxides by using an amino-acid-based Cu (II)–tryptophan MOF catalyst"
  Chinese Journal of Catalysis 39 (1), 63-70

• Li, S.; Chung, Y.G.; Simon, C.M.; Snurr, R.Q.*
  "High-Throughput Computational Screening of Multivariate Metal-Organic Frameworks (MTV-MOFs) for CO2 Capture"
  Journal of Physical Chemistry Letters 8 (24), 6135-6141 (2017)

• Li, W.; Rao, Z.; Chung, Y.G.; Li, S.*
  "The Role of Partial Atomic Charge Assignment Methods on the Computational Screening of Metal‐Organic Frameworks for CO2 Capture under Humid Conditions"
  ChemistrySelect 2 (29), 9458-9465 (2017)

• Nazarian, D.; Camp, J.S.; Chung, Y.G.; Snurr, R.Q.; Sholl, D.S.*
  "Large-scale refinement of metal-organic framework structures using density functional theory"
  Chemistry of Materials 29 (6), 2521-2528 (2017)

• Bhin, K.M.; Tharun, J.; Roshan, K.R.; Kim, D.W.; Chung, Y.G.; Park, D.W.*
  "Catalytic performance of zeolitic imidazolate framework ZIF-95 for the solventless synthesis of cyclic carbonates from CO2 and epoxides"
  Journal of CO2 Utilization 17, 112-118 (2017)

• Chung, Y.G.#; Gómez-Gualdrón, D.A.#; Li, P.; Leperi, K.T.; Deria, P.; Zhang, H.; Vermeulen, N.A.; Stoddart, J.F.; You, F.; Hupp, J.T.; Farha, O.K.; Snurr, R.Q.*
  "In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm."
  Science Advances, 2 (10), e1600909 (2016)

• Li S.; Chung, Y.G.; Snurr, R.Q.*
  "High-Throughput Screening of Metal-Organic Frameworks for CO2 Capture in the Presence of Water"
  Langmuir 32 (40), 10368-10376 (2016)

• Deria, P.; Chung, Y.G.; Snurr, R.Q.; Hupp, J.T.*; Farha, O.K*
  "Water stabilization of Zr 6-based metal-organic frameworks via solvent-assisted ligand incorporation"
  Chemical Science 6 (9), 5172-5176 (2015)

• Simon, C.M.; Kim,  J.; Gomez-Gualdron, D.A.; Camp, J.S.; Chung, Y.G.; Martin, R.L.; Mercado, R.; Deem,  M.W.; Gunter, D.; Haranczyk, M.; Sholl, D.S.; Snurr, R.Q.*;  Smit, B.*
  "The materials genome in action: identifying the performance limits for methane storage."
  Energy & Environmental Science, 8 (4), 1190-1199 (2015)

• Chung, Y.G.; Camp, J.; Haranczyk, M.; Sikora, B.J.; Bury, W.; Krungleviciute, V.; Yildirim, T.; Farha, O.K.; Sholl, D.S.*; Snurr, R.Q.*
  "Computation-ready, experimental metal-organic frameworks: A tool to enable high-throughput screening of nanoporous crystals"
  Chemistry of Materials 26 (21), 6185-6192, (2014)

• Chung, Y.G.; Lacks, D.J.*
  "Atomic mobility in strained glassy polymers: The role of fold catastrophes on the potential energy surface,"
  Journal of Polymer Science Part B: Polymer Physics 50 (24), 1733-1739 (2012)

• Chung, Y.G.; Lacks, D.J.*
  "Atomic mobility in a polymer glass after shear and thermal cycles,"
  Journal of Physical Chemistry B 116 (48), 14201-14205 (2012)

• Chung, Y.G.; Lacks, D.J.*
  "How deformation enhances mobility in a polymer glass,"
  Macromolecules 45 (10), 4416-4421 (2012)

• Chung, Y.G.; Lacks, D.J.*
  "Sheared polymer glass and the question of mechanical rejuvenation"
  Journal of Chemical Physics 136 (12) (2012)