Researcher Page

사진

Kim, Jihan (김지한) H-8002-2013

Department
Department of Chemical and Biomolecular Engineering(생명화학공학과)
Co-author
Collaboration Network Collaboration Network
Website
http://molsim.kaist.ac.krHomePage
Research Area
Molecular Simulations, High-Performance Computing, Carbon Capture, Gas Storage and Separations, Force Field Development

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1

Computational prediction of hetero-interpenetration in metal-organic frameworks

Kwon, Ohmin; Park, Sanghoon; Zhou, Hong-Cai; Kim, JihanresearcherROYAL SOC CHEMISTRYCHEMICAL COMMUNICATIONS, v.53, no.12, pp.1953 - 1956, 2017

2

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

3

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

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

4

Towards accurate porosity descriptors based on guest-host interactions

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

5

Thermodynamics of gas adsorption in MOFs using Ab Initio calculations

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

6

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

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

7

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

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

8

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

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

9

Highly Enhanced Gas Adsorption Properties in Vertically Aligned MoS2 Layers

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

10

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

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

11

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

12

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

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

13

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

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

14

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

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

15

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

16

Optimizing nanoporous materials for gas storage

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

17

Predicting low-k zeolite materials

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

18

Mapping of Functional Groups in Metal-Organic Frameworks

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

19

Evaluating mixture adsorption models using molecular simulation

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

20

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

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