| Seven chemical separations to change the world DS Sholl, RP Lively Nature 532 (7600), 435-437, 2016 | 3127 | 2016 |
| Density functional theory: a practical introduction DS Sholl, JA Steckel John Wiley & Sons, 2022 | 2316 | 2022 |
| TCE dechlorination rates, pathways, and efficiency of nanoscale iron particles with different properties Y Liu, SA Majetich, RD Tilton, DS Sholl, GV Lowry Environmental science & technology 39 (5), 1338-1345, 2005 | 987 | 2005 |
| Rapid transport of gases in carbon nanotubes AI Skoulidas, DM Ackerman, JK Johnson, DS Sholl Physical review letters 89 (18), 185901, 2002 | 829 | 2002 |
| Computation-ready, experimental metal–organic frameworks: A tool to enable high-throughput screening of nanoporous crystals YG Chung, J Camp, M Haranczyk, BJ Sikora, W Bury, V Krungleviciute, ... Chemistry of Materials 26 (21), 6185-6192, 2014 | 645 | 2014 |
| Can metal–organic framework materials play a useful role in large‐scale carbon dioxide separations? S Keskin, TM van Heest, DS Sholl ChemSusChem 3 (8), 879-891, 2010 | 632 | 2010 |
| Chiral selection on inorganic crystalline surfaces RM Hazen, DS Sholl Nature materials 2 (6), 367-374, 2003 | 534 | 2003 |
| Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulations AI Skoulidas, DS Sholl The Journal of Physical Chemistry B 109 (33), 15760-15768, 2005 | 500 | 2005 |
| Advances, updates, and analytics for the computation-ready, experimental metal–organic framework database: CoRE MOF 2019 YG Chung, E Haldoupis, BJ Bucior, M Haranczyk, S Lee, H Zhang, ... Journal of Chemical & Engineering Data 64 (12), 5985-5998, 2019 | 478 | 2019 |
| Nanoscale design to enable the revolution in renewable energy J Baxter, Z Bian, G Chen, D Danielson, MS Dresselhaus, AG Fedorov, ... Energy & Environmental Science 2 (6), 559-588, 2009 | 447 | 2009 |
| Chemically meaningful atomic charges that reproduce the electrostatic potential in periodic and nonperiodic materials TA Manz, DS Sholl Journal of Chemical Theory and Computation 6 (8), 2455-2468, 2010 | 438 | 2010 |
| From water to organics in membrane separations RP Lively, DS Sholl Nature materials 16 (3), 276-279, 2017 | 387 | 2017 |
| Ultem®/ZIF-8 mixed matrix hollow fiber membranes for CO2/N2 separations Y Dai, JR Johnson, O Karvan, DS Sholl, WJ Koros Journal of Membrane Science 401, 76-82, 2012 | 371 | 2012 |
| 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 | 369 | 2015 |
| Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory KS Walton, DS Sholl AIChE Journal 61 (9), 2757-2762, 2015 | 355 | 2015 |
| Progress, opportunities, and challenges for applying atomically detailed modeling to molecular adsorption and transport in metal− organic framework materials S Keskin, J Liu, RB Rankin, JK Johnson, DS Sholl Industrial & Engineering Chemistry Research 48 (5), 2355-2371, 2009 | 344 | 2009 |
| Identification of destabilized metal hydrides for hydrogen storage using first principles calculations SV Alapati, JK Johnson, DS Sholl The Journal of Physical Chemistry B 110 (17), 8769-8776, 2006 | 342 | 2006 |
| Exploring the framework hydrophobicity and flexibility of ZIF-8: from biofuel recovery to hydrocarbon separations K Zhang, RP Lively, C Zhang, RR Chance, WJ Koros, DS Sholl, S Nair The Journal of Physical Chemistry Letters 4 (21), 3618-3622, 2013 | 338 | 2013 |
| Efficient calculation of diffusion limitations in metal organic framework materials: a tool for identifying materials for kinetic separations E Haldoupis, S Nair, DS Sholl Journal of the American Chemical Society 132 (21), 7528-7539, 2010 | 333 | 2010 |
| Defects in metal–organic frameworks: challenge or opportunity? DS Sholl, RP Lively The journal of physical chemistry letters 6 (17), 3437-3444, 2015 | 331 | 2015 |
Ryan P. LivelyThomas C. DeLoach Jr. Endowed Professor of Chemical and Biomolecular Engineering, Georgia TechVerified email at chbe.gatech.edu
