발행물

전체 논문

276

101

Understanding the effect of side groups in ionic liquids on carbon-capture properties: a combined experimental and theoretical effort
F. Yan, M. Lartey, K. Damodaran, E. Albenze, R.L. Thompson, J. Kim, M. Haranczyk, H.B. Nulwala, D.R. Luebke, B. Smit
Physical Chemistry Chemical Physics, 2013

102

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

103

Similarity-driven Discovery of Zeolite Materials for Adsorption-based Separations
R.L. Martin, T. Willems, L.-C. Lin, J. Kim, J. Swisher, B. Smit, M. Haranczyk
ChemPhysChem, 2012

104

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

105

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

106

Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials
J. Kim, B. Smit
Journal of Chemical Theory and Computation, 2012

107

In Silico Screening of Carbon Capture Materials
L.-C. Lin#, A. Berger#, R.L. Martin#, J. Kim#, J. Swisher, K. Jariwala, C. Rycroft, A. Brown, M. Deem, M. Haranzyk, B. Smit
Nature Materials, 2012

108

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

109

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

110

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