[53] B. Suh et al. 
Size-Matching Ligand Insertion in MOF-74 for Enhanced CO2 capture under Humid Conditions
(Submitted), 2017.


[52] H. Lim et al. 
Facile Fabrication of Thermally Regenerable Ultrafiltration Membranes using Polymer-assisted BNNT Nanodispersion
(Submitted), 2017.


[51] S. Lee et al. 
IAST++: User-Friendly GUI Software for Ideal Adsorbed Solution Theory Calculations
(Submitted), 2017.


[50] S. Chong, G. Thiele, and J.Kim*
Excavating Hidden Adsorption Sites in Metal-Organic Frameworks Using Rational Defect Engineering
(Accepted, Nature Communications), 2017.


[49] S. Hyeon, Y. Kim, and J.Kim*
Computational Prediction of High Methane Storage Capacity in V-MOF-74
Physical Chemistry Chemical Physics, vol. 19, 21132, 2017.


[48] W. Jeong, D. Lim, S. Kim, A. Harale, M. Yoon, M.P. Suh, and J.Kim* 
Modeling Adsorption Properties of Structurally Deformed Metal Organic Frameworks Using Structure-Property Map
Proceedings of the National Academy of Sciences, vol. 114, 7923, 2017.


[47] S. Baik, B. Suh, A. Byeon, J. Kim*, and Jae W. Lee* 
In-situ Boron and Nitrogen Doping in Flue Gas Derived Carbon Materials for Enhanced Oxygen Reduction Reaction Journal of CO2 Utilization, vol. 20, 73, 2017.


[46] L.-C. Lin, D. Paik, and J. Kim*
Understanding Gas Adsorption in MOF-5/Graphene Oxide Composite Material
Physical Chemistry Chemical Physics, vol.19, 11639, 2017.


[45] A. Thornton, C. Simon, J. Kim, O. Kwon, K. Deeg, K. Konstas, S. Pas, M. Hill, D. Winkler, M. Haranczyk, and B. Smit*
The materials genome in action: identifying the performance limits of physical hydrogen storage
Chemistry of Materials, vol.29, 2844, 2017.


[44] C. Kim, B. Suh, H. Yun, J.Kim , and H. Lee* 
Surface Plasmon Aided Ethanol Dehydrogenation Using Ag-Ni Binary Nanoparticles
ACS Catalysis, vol. 7, 2294, 2017.


[43] O. Kwon, S. Park, H-C. Zhou, and J.Kim* 
Computational Prediction of Hetero-interpenetrated Metal-Organic Frameworks
Chemical Communications, vol.53, 1953, 2017.


[42] W. Jeong and J.Kim* 
Understanding the Mechanisms of CO2 Adsorption Enhancement in Pure Silica Zeolites under Humid Conditions Journal of Physical Chemistry C, vol. 120, 23500, 2016.


[41] Y. Lee, R. Poloni, and J.Kim* 
Probing Gas Adsorption in MOFs Using an Efficient Ab Initio Widom Insertion Monte Carlo
Journal of Computational Chemistry, vol. 37, 2808, 2016.


[40] S. Cho, Y. Lee, H. Koh, H. Jung, J.-S. Kim, H. Yoo, J. Kim*, and H. Jung* 
Superior Chemical Sensing Performance of Black Phosphorus: Comparison with MoS2 and Graphene
Advanced Materials, vol.28, 7020, 2016.


[39] E. Braun, A. Zurhelle, W. Thijssen, S. Schnell, L.-C. Lin, J. Kim, J. Thompson, and B. Smit* 
High-Throughput Computational Screening of Nanoporous Adsorbents for CO2 Capture from Natural Gas Molecular Systems Design and Engineering, vol.1, 175, 2016.


[38] D. Paik, M. Haranczyk, and J. Kim* 
Towards Accurate Porosity Descriptors based on Guest-Host Interactions
Journal of Molecular Graphics, vol. 66, 91, 2016.


[37] N. Manoranjan, D. Won, J. Kim, and S. Woo*
An Amide Linked Imine Porous Polymers for Effective CO2 Capture and Separation
Journal of CO2 Utilization, vol. 16, 486, 2016.


[36] J. Choi, Y. Lee, J. Kim, and H. Lee* 
Enhancing Stability of Octahedral PtNi Nanoparticles for the Oxygen Reduction Reaction by Halide Treatment Journal of Power Sources, vol. 307, 883, 2016.


[35] J. Baek, J. Lee, M. Joo, D. Han, H. Seong, H. Kim, J. Lee, J. Kim, S. Yoo, S. Jeon, and S. Im* 
Tuning the electrode work function via a vapor-phased deposited ultrathin polymer film
Journal of Materials Chemistry C, vol. 4, 831, 2016.


[34] R. Poloni and J. Kim*
Thermodynamics of gas adsorption in MOFs using ab initio calculations
International Journal of Quantum Chemistry, vol. 116, 569, 2016.


[33] S. Cho, S. Kim, Y. Lee, J. Kim, W. Jung, H. Yoo, J. Kim*, and H. Jung* 
Highly Enhanced Gas Adsorption Properties in Vertically Aligned MoS2 Layers
ACS Nano, vol. 9, 9314, 2015.


[32] C. Simon, J. Kim, D. Gomez-Gualdron, J. Camp, Y. Chung, R.L. Martin, R. Mercado, M. Deem, D. Gunter, M. Haranczyk, D. Sholl, R. Snurr*, and B. Smit* 
Computer-aided search for materials to store natural gas for vehicles
Frontiers for Young Minds, 2015.


[31] C. Simon, J. Kim, D. Gomez-Gualdron, J. Camp, Y. Chung, R.L. Martin, R. Mercado, M. Deem, D. Gunter, M. Haranczyk, D. Sholl, R. Snurr*, and B. Smit* 
The Materials Genome in Action: Identifying the Performance Limits for Methane Storage
Energy & Environmental Science, vol. 8, 1190, 2015.


[30] L. Sarkisov* and J. Kim 
Computational structure characterization tools for the era of material informatics
Chemical Engineering Science, vol.121, 322, 2015.


[29] Y. Shao et al. 
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Molecular Physics, vol.113, 2015. 


[28] J. Borycz, L.-C. Lin, E. Bloch, J. Kim , A. Dzubak, R. Maurice, D. Semrouni, K. Lee, B. Smit*, and L. Gagliardi* 
CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations Journal of Physical Chemistry C, vol. 118, 12230, 2014. 


[27] R. Poloni and J. Kim* 
Predicting low-k zeolite dielectric materials
Journal of Materials Chemistry C, vol. 2, 2298, 2014. 


[26] J. Kim*, L.-C. Lin, K. Lee, J. Neaton, and B. Smit 
Efficient Determination of Accurate Force Fields for Porous Materials Using Ab-initio Total Energy Calculations Journal of Physical Chemistry C, vol. 118, 2693, 2014. 


[25] C. Simon, J. Kim, L.-C. Lin, R.L. Martin, M. Haranczyk, and B. Smit* 
Optimizing nanoporous materials for gas storage
Physical Chemistry Chemical Physics, (Cover), vol. 16, 5499, 2014.


[24] J. Kim*
Computational Generation of User-Desired Multivariate Metal-Organic Framework Structures
ChemPhysChem, vol. 15, 61, 2014.


*corresponding author

 
Before KAIST


[23] X. Kong, H. Deng, F. Yan, J. Kim, J. Swisher, B. Smit, O. Yaghi, J. Reimer 
Mapping of Functional Groups in Metal-Organic Frameworks
Science, vol.341, 882, 2013.


[22] J. Kim, M. Abouelnasr, L.-C. Lin, B. Smit 
Large-scale Screening of zeolite structures for CO2 membrane separations
JACS, vol.135, 7545, 2013.


[21] L.-C. Lin, J. Kim, X. Kong, E. Scott, T. McDonald, J. Long, J. Reimer, B. Smit 
Understanding CO2 Dynamics in Metal-Organic Frameworks with Open Metal Sites
Angewandte Chemie, (Inside Cover), vol.125, 4589, 2013.


[20] J. Kim, A. Maiti, L.-C. Lin, J. Stolaroff, B. Smit, R. Aines 
New materials for methane capture from dilute and medium-concentration sources
Nature Communications, vol.4, 1694, 2013.

    [19] J. Swisher, L.-C. Lin, J. Kim, B. Smit 
    Evaluating mixture adsorption models using molecular simulation
    AIChE Journal, vol.59, 3054, 2013.


    [18] F. Yan, H. Nulwela, K. Damodaran, E. Albenze, M. Lartey, J. Kim, M. Haranczyk, B. Smit, D. Luebke 
    Molecular Simulation of CO2 in Functionalized Triazolium-based Ionic Liquids
    Physical Chemistry Chemical Physics, vol.15, 3264, 2013.


    [17] J. Kim, L.-C. Lin, J. Swisher, M. Haranczyk, B. Smit 
    Predicting Large CO2 Adsorption in Aluminosilicate Zeolites for Post-combustion Carbon Dioxide Capture
    JACS, vol.134, 18940, 2012.


    [16] R.L. Martin, T. Willems, L.-C. Lin, J. Kim, J. Swisher, B. Smit, M. Haranczyk 
    Similarity-driven Discovery of Zeolite Materials for Adsorption-based Separations
    ChemPhysChem, (Cover) vol.13, 3595, 2012.


    [15] J. Kim, L.-C. Lin, R.L. Martin, J. Swisher, M. Haranczyk, B. Smit 
    Large Scale Computational Screening of Zeolites for Ethane/Ethene Separation
    Langmuir, vol.28, 11914, 2012.


    [14] A. Dzubak, L.-C. Lin, J. Kim, J. Swisher, R. Poloni, S. Maximoff, B. Smit, L. Gagliardi 
    Ab initio Carbon Capture in Open-site Metal Organic Frameworks
    Nature Chemistry, vol.4, 810, 2012.


    [13] J. Kim, B. Smit 
    Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials
    Journal of Chemical Theory and Computation, vol.8, 2336, 2012.


    [12] L.-C. Lin, A. Berger, R.L. Martin, J. Kim (co-first author), J. Swisher, K. Jariwala, C. Rycroft, A. Brown, M. Deem, M. Haranzyk, B. Smit 
    In Silico Screening of Carbon Capture Materials
    Nature Materials, vol.11, 633, 2012.


    [11] J. Kim, R.L. Martin, O. Ruebel, M. Haranczyk, B. Smit 
    High-throughput Characterization of Porous Materials Using Graphics Processing Units
    Journal of Chemical Theory and Computation, vol.8, 1684, 2012.


    [10] J. Kim, J. Rodgers, M. Athenes, B. Smit 
    Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not?"
    Journal of Chemical Theory and Computation, vol.10, 3208, 2011.


    [9] J. Kim, A. Koniges, R.L. Martin, M. Haranczyk, B. Smit 
    GPU Computational Screening of Carbon Capture Materials
    Proceedings of the 2011 SciDAC Conference, 2011.


    [8] A. Koniges, R. Preissl, J. Kim, D. Eder, A. Fisher, N. Masters, V. Mlaker, S. Ethier, W. Wang, M. Head-Gordon, N. Wichmann 
    Application Acceleration on Current and Future Cray Platforms" (Best Paper award)
    Proceedings of the CUG 2010, 2010.


    [7] D.V. Melnikov, J. Kim, L.-X. Zhang, J.P. Leburton 
    Few-electron Quantum Dot Spintronics
    Oxford Handbook of Nanoscience and Technology: Frontiers and Advances, vol.3, 47, 2010.


    [6] J. Kim, D.V. Melnikov, J.P. Leburton 
    Tunable Many-body Effects in Triple Quantum Dots
    Physical Review B, vol.80, 045305, 2009.


    [5] J. Kim, D.V. Melnikov, J.P. Leburton 
    Coupled Quantum Dots as Two-level Systems: A Variational Monte Carlo Approach
    The Open Condensed Matter Physics Journal, vol.1, 1, 2008.


    [4] J. Kim, D.V. Melnikov, J.P. Leburton 
    Spin Charging Sequences in Three Colinear Laterally Coupled Vertical Quantum Dots
    Physical Review B, vol.74, 035307, 2006.


    [3] J. Kim, P. Matagne, J.P. Leburton, R.M. Martin, T. Hatano, S. Tarucha 
    Engineering Quantum Confinement and Orbital Couplings in Laterally-coupled Vertical Quantum Dots for Spintronics
    IEEE Transaction on Nanotechnology, vol.5, 343, 2006.


    [2] D.V. Melnikov, J. Kim, L.-X., Zhang, J.P. Leburton 
    Three-dimensional Self-consistent Modeling of Spin-qubit Quantum Dot Devices
    IEE Proceedings on Circuits, Devices and Systems, vol.152, 377, 2005.


    [1] L.-X. Zhang, J. Kim, D.V. Melnikov, J.P. Leburton 
    Full Scale Simulation of Spin-qubit Quantum Dots and Circuits
    Proceedings of the Electrochemical Society, 207, 2004.