| A comprehensive set of high-quality point charges for simulations of metal–organic frameworks D Nazarian, JS Camp, DS Sholl Chemistry of Materials 28 (3), 785-793, 2016 | 182 | 2016 |
| Large-scale refinement of metal− organic framework structures using density functional theory D Nazarian, JS Camp, YG Chung, RQ Snurr, DS Sholl Chemistry of Materials 29 (6), 2521-2528, 2017 | 133 | 2017 |
| Benchmarking density functional theory predictions of framework structures and properties in a chemically diverse test set of metal–organic frameworks D Nazarian, P Ganesh, DS Sholl Journal of Materials Chemistry A 3 (44), 22432-22440, 2015 | 99 | 2015 |
| High quality computational screening of metal-organic frameworks for contaminant removal D Nazarian Georgia Institute of Technology, 2016 | | 2016 |
| Using high-quality, atomic point charges for metal-organic frameworks to enable high-throughput screening of materials for contaminant removal from methane D Nazarian, P Ganesh, J Camp, D Sholl ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Recent applications of databases of crystal structures and experimental data for metal-organic framework materials D Sholl, X Nie, T Duerinck, K Walton, D Nazarian, J Camp ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015 | | 2015 |
| Computational Identification of MOFs suitable for creating conducting materials via ligand infiltration D Sholl, X Nie, A Kulkarni, D Nazarian, J Camp ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015 | | 2015 |
| How accurate are MOF crystal structures? Insight from DFT calculations DS Sholl, D Nazarian, J Camp ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | | 2014 |
