| Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning Y Sun, RF DeJaco, Z Li, D Tang, S Glante, DS Sholl, CM Colina, RQ Snurr, ... Science Advances 7 (30), eabg3983, 2021 | 72 | 2021 |
| Efficiently exploring adsorption space to identify privileged adsorbents for chemical separations of a diverse set of molecules D Tang, Y Wu, RJ Verploegh, DS Sholl ChemSusChem 11 (9), 1567-1575, 2018 | 55 | 2018 |
| Screening diffusion of small molecules in flexible zeolitic imidazolate frameworks using a DFT-parameterized force field RJ Verploegh, A Kulkarni, SE Boulfelfel, JC Haydak, D Tang, DS Sholl The Journal of Physical Chemistry C 123 (14), 9153-9167, 2019 | 47 | 2019 |
| Tuning binding tendencies of small molecules in metal–organic frameworks with open metal sites by metal substitution and linker functionalization W You, Y Liu, JD Howe, D Tang, DS Sholl The Journal of Physical Chemistry C 122 (48), 27486-27494, 2018 | 45 | 2018 |
| Two-dimensional energy histograms as features for machine learning to predict adsorption in diverse nanoporous materials K Shi, Z Li, DM Anstine, D Tang, CM Colina, DS Sholl, JI Siepmann, ... Journal of Chemical Theory and Computation 19 (14), 4568-4583, 2023 | 35 | 2023 |
| Efficient models for predicting temperature-dependent henry’s constants and adsorption selectivities for diverse collections of molecules in metal–organic frameworks X Yu, S Choi, D Tang, AJ Medford, DS Sholl The Journal of Physical Chemistry C 125 (32), 18046-18057, 2021 | 35 | 2021 |
| Simulation insight into water transport mechanisms through multilayer graphene-based membrane M Shahbabaei, D Tang, D Kim Computational Materials Science 128, 87-97, 2017 | 35 | 2017 |
| Selecting adsorbents to separate diverse near-azeotropic chemicals F Gharagheizi, D Tang, DS Sholl The Journal of Physical Chemistry C 124 (6), 3664-3670, 2020 | 34 | 2020 |
| Impacts of gas impurities from pipeline natural gas on methane storage in metal–organic frameworks during long-term cycling Y Wu, D Tang, RJ Verploegh, H Xi, DS Sholl The Journal of Physical Chemistry C 121 (29), 15735-15745, 2017 | 33 | 2017 |
| Metal–organic framework integrating ionic framework and bimetallic coupling effect for highly efficient oxygen evolution reaction S Li, T Wang, D Tang, Y Yang, Y Tian, F Cui, J Sun, X Jing, DS Sholl, ... Advanced Science 9 (30), 2203712, 2022 | 32 | 2022 |
| Competitive entry of sodium and potassium into nanoscale pores JJ Cannon, D Tang, N Hur, D Kim The Journal of Physical Chemistry B 114 (38), 12252-12256, 2010 | 25 | 2010 |
| Adsorption space for microporous polymers with diverse adsorbate species DM Anstine, D Tang, DS Sholl, CM Colina npj Computational Materials 7 (1), 53, 2021 | 22 | 2021 |
| Molecular dynamics simulation on the effect of pore hydrophobicity on water transport through aquaporin-mimic nanopores C Han, D Tang, D Kim Colloids and Surfaces A: Physicochemical and Engineering Aspects 481, 38-42, 2015 | 22 | 2015 |
| Molecular dynamics simulations on water permeation through hourglass-shaped nanopores with varying pore geometry D Tang, YE Yoo, D Kim Chemical Physics 453, 13-19, 2015 | 22 | 2015 |
| Study on the transport of water molecules under the geometry confinement of aquaporin-like nanopores D Tang, D Kim Applied thermal engineering 72 (1), 120-125, 2014 | 22 | 2014 |
| Molecular dynamics simulation of the effect of angle variation on water permeability through hourglass-shaped nanopores D Tang, L Li, M Shahbabaei, YE Yoo, D Kim Materials 8 (11), 7257-7268, 2015 | 21 | 2015 |
| Rapid prediction of adsorption isotherms of a diverse range of molecules in hyper-cross-linked polymers D Tang, G Kupgan, CM Colina, DS Sholl The Journal of Physical Chemistry C 123 (29), 17884-17893, 2019 | 20 | 2019 |
| Adsorption-based separation of near-azeotropic mixtures—A challenging example for high-throughput development of adsorbents D Tang, F Gharagheizi, DS Sholl The Journal of Physical Chemistry B 125 (3), 926-936, 2021 | 14 | 2021 |
| Temperature effect on ion selectivity of potassium and sodium ions in solution D Tang, D Kim Chemical Physics 428, 14-18, 2014 | 13 | 2014 |
| The effect of counter-ions on the ion selectivity of potassium and sodium ions in nanopores F Liu, A Goodarzi, H Wang, J Stasiak, J Sun, Y Zhou, D Tang, D Kim Bio-medical materials and engineering 24 (1), 383-390, 2014 | 9 | 2014 |
David S. ShollOak Ridge National LaboratoryEmail yang diverifikasi di ornl.gov