| Combined deep learning and classical potential approach for modeling diffusion in UiO-66 SK Achar, JJ Wardzala, L Bernasconi, L Zhang, JK Johnson Journal of Chemical Theory and Computation 18 (6), 3593-3606, 2022 | 39 | 2022 |
| Modeling of diffusion of acetone in UiO-66 JJ Wardzala, JP Ruffley, I Goodenough, AM Schmidt, PB Shukla, X Wei, ... The Journal of Physical Chemistry C 124 (52), 28469-28478, 2020 | 39 | 2020 |
| Calculation of self, corrected, and transport diffusivities of isopropyl alcohol in UiO-66 CV Mhatre, JJ Wardzala, PB Shukla, M Agrawal, JK Johnson Nanomaterials 13 (11), 1793, 2023 | 4 | 2023 |
| Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations JJ Wardzala, DS King, L Ogunfowora, B Savoie, L Gagliardi ACS Central Science 10 (4), 833-841, 2024 | 3 | 2024 |
| The Impact of Missing Linker Defects in UiO-66 on Adsorption and Diffusion of Isopropyl Alcohol CV Mhatre, JJ Wardzala, MC Oliver, M Islamov, P Boone, C Wilmer, ... The Journal of Physical Chemistry C 128 (32), 13577-13587, 2024 | | 2024 |
| Diffusion and Adsorption of Polar Molecules in Defective Uio-66 C Mhatre, J Wardzala, M Oliver, M Islamov, P Boone, CE Wilmer, L Huang, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66. Nanomaterials 2023, 13, 1793 CV Mhatre, JJ Wardzala, PB Shukla, M Agrawal, JK Johnson | | 2023 |
| Modeling of Adsorption and Diffusion of Chemical Agents and Simulants in UiO-66 C Mhatre, J Wardzala, M Islamov, P Boone, CE Wilmer, K Johnson 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Modeling of Diffusion in the Metal-Organic Framework Uio-66 J Wardzala, PB Shukla, C Mhatre, K Johnson 2021 AIChE Annual Meeting, 2021 | | 2021 |
