| A pattern recognition algorithm for quantum annealers F Bapst, W Bhimji, P Calafiura, H Gray, W Lavrijsen, L Linder, A Smith Computing and Software for Big Science 4, 1-7, 2020 | 58 | 2020 |
| Pair and many-body interactions between ligated Au nanoparticles ER Liepold, A Smith, B Lin, J De Pablo, SA Rice The Journal of chemical physics 150 (4), 2019 | 26 | 2019 |
| Metal–organic frameworks as O 2-selective adsorbents for air separations DE Jaramillo, A Jaffe, BER Snyder, A Smith, E Taw, RC Rohde, MN Dods, ... Chemical Science 13 (35), 10216-10237, 2022 | 21 | 2022 |
| Evaluation of the Stability of Diamine-Appended Mg2(dobpdc) Frameworks to Sulfur Dioxide ST Parker, A Smith, AC Forse, WC Liao, F Brown-Altvater, RL Siegelman, ... Journal of the American Chemical Society 144 (43), 19849-19860, 2022 | 11 | 2022 |
| High-Capacity, Cooperative CO2 Capture in a Diamine-Appended Metal–Organic Framework through a Combined Chemisorptive and Physisorptive Mechanism Z Zhu, H Tsai, ST Parker, JH Lee, Y Yabuuchi, HZH Jiang, Y Wang, ... Journal of the American Chemical Society 146 (9), 6072-6083, 2024 | 9 | 2024 |
| Carbon Capture Phenomena in Metal-Organic Frameworks with Neural Network Potentials Y Shaidu, A Smith, E Taw, JB Neaton PRX Energy 2 (2), 023005, 2023 | 6 | 2023 |
| Stabilizing Au2+ in a mixed-valence 3D halide perovskite KP Lindquist, A Eghdami, CR Deschene, AJ Heyer, J Wen, AG Smith, ... Nature Chemistry, 1-7, 2023 | 4 | 2023 |
| Entropic Effects on Diamine Dynamics and CO2 Capture in Diamine-Appended Mg2(dopbdc) Metal–Organic Frameworks Y Shaidu, W DeSnoo, A Smith, E Taw, JB Neaton The Journal of Physical Chemistry Letters 15, 1130-1134, 2024 | 2 | 2024 |
| Interaction between dilute water vapor and dodecane thiol ligated Au nanoparticles: Hydrated structure and pair potential of mean force MN Martinez, AG Smith, LM Nowack, B Lin, SA Rice The Journal of Chemical Physics 155 (14), 2021 | 1 | 2021 |
| Removal of Chromium and Arsenic from Water Using Polyol-Functionalized Porous Aromatic Frameworks AA Uliana, ER Pezoulas, NI Zakaria, AS Johnson, A Smith, Y Lu, ... Journal of the American Chemical Society, 2024 | | 2024 |
| Prediction of Metal-Organic Framework Adsorption Isotherms Using Ab Initio Derived Neural Network Potentials PG Martins, Y Shaidu, E Taw, A Smith, JB Neaton 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Prediction of Metal-Organic Framework Adsorption Isotherms using Ab Initio derived Neural Network Potentials P Guimarães Martins, Y Shaidu, E Taw, A Smith, J Neaton Bulletin of the American Physical Society, 2023 | | 2023 |
| First principles study of the electronic structure and optical properties of the metal-organic framework Zn-MFU-4l A Smith, J Neaton Bulletin of the American Physical Society, 2023 | | 2023 |
| Impact of defects and charge doping on O2 binding in the metal-organic framework Fe2 (bdp) 3 from first principles A Smith, K Engler, K McCone, L Funke, J Long, J Neaton APS March Meeting Abstracts 2022, K47. 007, 2022 | | 2022 |
| Phase behavior and electronic properties of a conducting ferrimagnetic metal-organic framework from first principles A Smith, M Ziebel, S Reyes-Lillo, A Jaffe, J Long, J Neaton Bulletin of the American Physical Society, 2021 | | 2021 |
| Influence of Water Vapor on the Interaction Between Dodecane Thiol Ligated Au Nanoparticles MN Martinez, AG Smith, M Jin, KB Slater, LM Nowack, B Lin, SA Rice arXiv preprint arXiv:2006.11370, 2020 | | 2020 |
| Ordering and Interactions of Gold Nanoparticles (AuNPs) with Fractional Surface Coverage of Ligands M Reik, C Liepold, S Griesemer, W Bu, A Smith, S Rice, J De Pablo, B Lin Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Effect of Water Vapor on the Pair Potential Between Ligated Nanoparticles M Martinez, M Jin, A Smith, K Slater, L Nowack, B Lin, S Rice Bulletin of the American Physical Society 65, 2020 | | 2020 |
| First-principles studies of small molecule absorption kinetics in diamine-appended metal-organic frameworks A Smith, J Neaton Bulletin of the American Physical Society 65, 2020 | | 2020 |
