| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 1925 | 2015 |
| In silico screening of carbon-capture materials LC Lin, AH Berger, RL Martin, J Kim, JA Swisher, K Jariwala, CH Rycroft, ... Nature materials 11 (7), 633-641, 2012 | 480 | 2012 |
| Metallic Ti3C2Tx MXene Gas Sensors with Ultrahigh Signal-to-Noise Ratio SJ Kim, HJ Koh, CE Ren, O Kwon, K Maleski, SY Cho, B Anasori, CK Kim, ... ACS nano 12 (2), 986-993, 2018 | 354 | 2018 |
| Mapping of functional groups in metal-organic frameworks X Kong, H Deng, F Yan, J Kim, JA Swisher, B Smit, OM Yaghi, JA Reimer Science 341 (6148), 882-885, 2013 | 343 | 2013 |
| Ab initio carbon capture in open-site metal–organic frameworks AL Dzubak, LC Lin, J Kim, JA Swisher, R Poloni, SN Maximoff, B Smit, ... Nature chemistry 4 (10), 810-816, 2012 | 264 | 2012 |
| Highly Enhanced Gas Adsorption Properties in Vertically Aligned MoS2 Layers SY Cho, SJ Kim, Y Lee, JS Kim, WB Jung, HW Yoo, J Kim, HT Jung ACS nano 9 (9), 9314-9321, 2015 | 255 | 2015 |
| The materials genome in action: identifying the performance limits for methane storage CM Simon, J Kim, DA Gomez-Gualdron, JS Camp, YG Chung, RL Martin, ... Energy & Environmental Science 8 (4), 1190-1199, 2015 | 247 | 2015 |
| Superior Chemical Sensing Performance of Black Phosphorus: Comparison with MoS2 and Graphene SY Cho, Y Lee, HJ Koh, H Jung, JS Kim, HW Yoo, J Kim, HT Jung Advanced Materials 28 (32), 7020-7028, 2016 | 215 | 2016 |
| Understanding CO2 Dynamics in Metal–Organic Frameworks with Open Metal Sites LC Lin, J Kim, X Kong, E Scott, TM McDonald, JR Long, JA Reimer, B Smit Angewandte Chemie 125 (16), 4506-4509, 2013 | 157 | 2013 |
| Predicting Large CO2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide Capture J Kim, LC Lin, JA Swisher, M Haranczyk, B Smit Journal of the American Chemical Society 134 (46), 18940-18943, 2012 | 118 | 2012 |
| Materials genome in action: identifying the performance limits of physical hydrogen storage AW Thornton, CM Simon, J Kim, O Kwon, KS Deeg, K Konstas, SJ Pas, ... Chemistry of Materials 29 (7), 2844-2854, 2017 | 111 | 2017 |
| Large-Scale Screening of Zeolite Structures for CO2 Membrane Separations J Kim, M Abouelnasr, LC Lin, B Smit Journal of the American Chemical Society 135 (20), 7545-7552, 2013 | 90 | 2013 |
| New materials for methane capture from dilute and medium-concentration sources J Kim, A Maiti, LC Lin, JK Stolaroff, B Smit, RD Aines Nature communications 4 (1), 1-7, 2013 | 90 | 2013 |
| Large-scale computational screening of zeolites for ethane/ethene separation J Kim, LC Lin, RL Martin, JA Swisher, M Haranczyk, B Smit Langmuir 28 (32), 11914-11919, 2012 | 76 | 2012 |
| Optimizing nanoporous materials for gas storage CM Simon, J Kim, LC Lin, RL Martin, M Haranczyk, B Smit Physical Chemistry Chemical Physics 16 (12), 5499-5513, 2014 | 73 | 2014 |
| High-throughput characterization of porous materials using graphics processing units J Kim, RL Martin, O Rübel, M Haranczyk, B Smit Journal of chemical theory and computation 8 (5), 1684-1693, 2012 | 66 | 2012 |
| CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations J Borycz, LC Lin, ED Bloch, J Kim, AL Dzubak, R Maurice, D Semrouni, ... The Journal of Physical Chemistry C 118 (23), 12230-12240, 2014 | 49 | 2014 |
| Shift of the Branching Point of the Side‐Chain in Naphthalenediimide (NDI)‐Based Polymer for Enhanced Electron Mobility and All‐Polymer Solar Cell Performance H You, D Kim, HH Cho, C Lee, S Chong, NY Ahn, M Seo, J Kim, FS Kim, ... Advanced Functional Materials 28 (39), 1803613, 2018 | 43 | 2018 |
| Similarity‐Driven Discovery of Zeolite Materials for Adsorption‐Based Separations RL Martin, TF Willems, LC Lin, J Kim, JA Swisher, B Smit, M Haranczyk ChemPhysChem 13 (16), 3595-3597, 2012 | 42 | 2012 |
| Efficient Monte Carlo simulations of gas molecules inside porous materials J Kim, B Smit Journal of chemical theory and computation 8 (7), 2336-2343, 2012 | 39 | 2012 |
