Researcher Page


Kim, Jihan (김지한) H-8002-2013

Department of Chemical and Biomolecular Engineering(생명화학공학과)
Collaboration Network Collaboration Network
Research Area
Molecular Simulations, High-Performance Computing, Carbon Capture, Gas Storage and Separations, Force Field Development

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Probing Gas Adsorption in MOFs Using an Efficient Ab Initio Widom Insertion Monte Carlo Method

Lee, Youhan; Poloni, Roberta; Kim, JihanresearcherWILEY-BLACKWELLJOURNAL OF COMPUTATIONAL CHEMISTRY, v.37, no.32, pp.2808 - 2815, 2016-12


Understanding the Mechanisms of CO2 Adsorption Enhancement in Pure Silica Zeolites under Humid Conditions

Kim, Jihanresearcher; Jeong, WooSeokAMER CHEMICAL SOCJOURNAL OF PHYSICAL CHEMISTRY C, v.120, no.41, pp.23500 - 23510, 2016-10


Towards accurate porosity descriptors based on guest-host interactions

Kim, Jihanresearcher; Paik, Dooam; Haranczyk, MaciejELSEVIER SCIENCE INCJOURNAL OF MOLECULAR GRAPHICS & MODELLING, v.66, pp.91 - 98, 2016-05


Thermodynamics of gas adsorption in MOFs using Ab Initio calculations

Kim, Jihanresearcher; Poloni, RobertaWILEY-BLACKWELLINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.569 - 572, 2016-04


Enhancing stability of octahedral PtNi nanoparticles for oxygen reduction reaction by halide treatment

Lee, Youhan; Kim, Jihanresearcher; Choi, Juhyuk; Lee, HyunjooresearcherELSEVIER SCIENCE BVJOURNAL OF POWER SOURCES, v.307, pp.883 - 890, 2016-03


Tuning the electrode work function via a vapor-phase deposited ultrathin polymer film

Kim, Houngkyung; Jeon, Seokwooresearcher; Joo, Munkyu; Kim, Jihanresearcher; Seong, Hyejeong; Im, Sung Gapresearcher; Baek, Jieung; Lee, Junseok; Lee, Jinsup; Han, Donggeon; Yoo, SeunghyupresearcherROYAL SOC CHEMISTRYJOURNAL OF MATERIALS CHEMISTRY C, v.4, no.4, pp.831 - 839, 2016-01


High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas

Zurhelle, Alexander F.; Thompson, Joshua A.; Braun, Efrem; Kim, Jihanresearcher; Schnell, Sondre K.; Thijssen, Wouter; Smit, Berend; Lin, Li-ChiangROYAL SOC CHEMISTRYMOLECULAR SYSTEMS DESIGN & ENGINEERING, v.1, no.2, pp.175 - 188, 2016


Highly Enhanced Gas Adsorption Properties in Vertically Aligned MoS2 Layers

Kim, Seon Joon; Jung, Hee-Taeresearcher; Cho, Soo-Yeon; Kim, Jihanresearcher; Lee, Youhan; Yoo, Hae-Wook; Kim, Jong-Seon; Jung, Woo-BinAMER CHEMICAL SOCACS NANO, v.9, no.9, pp.9314 - 9321, 2015-09


Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Feng, Xintian; Proynov, Emil I.; Alguire, Ethan; Deng, Jia; Liu, Jie; Albrecht, Ben; Lange, Adrian W.; Kus, Tomasz; Zimmerman, Paul M.; Gilbert, Andrew T. B.; Jacobson, Leif D.; Steele, Ryan P.; Kim, Jihanresearcher; Behn, Andrew; Landau, Arie; Zuev, Dmitry; Shao, Yihan; Ghosh, Debashree; Rhee, Young Min; Austin, Brian; Epifanovsky, Evgeny; Horn, Paul R.; Rohrdanz, Mary A.; Bernard, Yves A.; Gan, Zhengting; Goldey, Matthew; Richard, Ryan M.; Beran, Gregory J. O.; Wormit, Michael; Kussmann, Joerg; Kaliman, Ilya; Khaliullin, Rustam Z.; Sundstrom, Eric J.; Woodcock, H. Lee, III; Jung, You-SungresearcherTAYLOR FRANCIS LTDMOLECULAR PHYSICS, v.113, no.2, pp.184 - 215, 2015-01


Computational structure characterization tools for the era of material informatics

Sarkisov, Lev; Kim, JihanresearcherPERGAMON-ELSEVIER SCIENCE LTDCHEMICAL ENGINEERING SCIENCE, v.121, pp.322 - 330, 2015-01


The materials genome in action: identifying the performance limits for methane storage

Chung, Yongchul G.; Martin, Richard L.; Snurr, Randall Q.; Smit, Berend; Simon, Cory M.; Deem, Michael W.; Camp, Jeffrey S.; Sholl, David S.; Kim, Jihanresearcher; Gunter, Dan; Gomez-Gualdron, Diego A.; Haranczyk, Maciej; Mercado, RocioROYAL SOC CHEMISTRYENERGY & ENVIRONMENTAL SCIENCE, v.8, no.4, pp.1190 - 1199, 2015


CO2 Adsorption in Fe-2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations

Dzubak, Allison L.; Bloch, Eric D.; Gagliardi, Laura; Borycz, Joshua; Lee, Kyuho; Lin, Li-Chiang; Smit, Berend; Maurice, Remi; Kim, Jihanresearcher; Semrouni, DavidAMER CHEMICAL SOCJOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.23, pp.12230 - 12240, 2014-06


Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations

Neaton, Jeffrey B.; Lin, Li-Chiang; Lee, Kyuho; Kim, Jihanresearcher; Smit, BerendAMER CHEMICAL SOCJOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.5, pp.2693 - 2701, 2014-02


Computational Generation of User-Desired Multivariate Metal-Organic Framework Structures

Kim, JihanresearcherWILEY-V C H VERLAG GMBHCHEMPHYSCHEM, v.15, no.1, pp.61 - 63, 2014-01


Optimizing nanoporous materials for gas storage

Lin, Li-Chiang; Simon, Cory M.; Haranczyk, Maciej; Martin, Richard L.; Kim, Jihanresearcher; Smit, BerendROYAL SOC CHEMISTRYPHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.16, no.12, pp.5499 - 5513, 2014


Predicting low-k zeolite materials

Poloni, Roberta; Kim, JihanresearcherROYAL SOC CHEMISTRYJOURNAL OF MATERIALS CHEMISTRY C, v.2, no.13, pp.2298 - 2300, 2014


Evaluating mixture adsorption models using molecular simulation

Smit, Berend; Kim, Jihanresearcher; Lin, Li-Chiang; Swisher, Joseph A.WILEY-BLACKWELLAICHE JOURNAL, v.59, no.8, pp.3054 - 3064, 2013-08


Mapping of Functional Groups in Metal-Organic Frameworks

Swisher, Joseph A.; Kim, Jihanresearcher; Kong, Xueqian; Smit, Berend; Yan, Fangyong; Reimer, Jeffrey A.; Deng, Hexiang; Yaghi, Omar M.AMER ASSOC ADVANCEMENT SCIENCESCIENCE, v.341, no.6148, pp.882 - 885, 2013-08


Large-Scale Screening of Zeolite Structures for CO2 Membrane Separations

Kim, Jihanresearcher; Abouelnasr, Mahmoud; Lin, Li-Chiang; Smit, BerendAMER CHEMICAL SOCJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.135, no.20, pp.7545 - 7552, 2013-05


New materials for methane capture from dilute and medium-concentration sources

Kim, Jihanresearcher; Maiti, Amitesh; Lin, Li-Chiang; Stolaroff, Joshuah K.; Smit, Berend; Aines, Roger D.NATURE PUBLISHING GROUPNATURE COMMUNICATIONS, v.4, 2013-04 View PDF (4278kb)

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