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David S. Sholl
David S. Sholl
School Chair, Michael Tennenbaum Family Chair and GRA Eminent Scholar in Energy Sustainability, Georgia Institute of Technology
Verified email at chbe.gatech.edu - Homepage
Title
Cited by
Cited by
Year
Seven chemical separations to change the world
DS Sholl, RP Lively
Nature 532 (7600), 435-437, 2016
22462016
Density functional theory: a practical introduction
DS Sholl, JA Steckel
John Wiley & Sons, 2022
19402022
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
9452005
Rapid transport of gases in carbon nanotubes
AI Skoulidas, DM Ackerman, JK Johnson, DS Sholl
Physical review letters 89 (18), 185901, 2002
7912002
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
6022010
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
5462014
Chiral selection on inorganic crystalline surfaces
RM Hazen, DS Sholl
Nature materials 2 (6), 367-374, 2003
4962003
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
4702005
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
4242009
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
3882010
UltemŽ/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
3362012
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
3292009
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
3252006
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
3232015
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
3092013
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
3022010
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
2972019
Improved atoms-in-molecule charge partitioning functional for simultaneously reproducing the electrostatic potential and chemical states in periodic and nonperiodic materials
TA Manz, DS Sholl
Journal of chemical theory and computation 8 (8), 2844-2867, 2012
2922012
Quantum sieving in carbon nanotubes and zeolites
Q Wang, SR Challa, DS Sholl, JK Johnson
Physical Review Letters 82 (5), 956, 1999
2911999
From water to organics in membrane separations
RP Lively, DS Sholl
Nature materials 16 (3), 276-279, 2017
2892017
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