| A pyridinic Fe-N4 macrocycle models the active sites in Fe/N-doped carbon electrocatalysts T Marshall-Roth, NJ Libretto, AT Wrobel, KJ Anderton, ML Pegis, ... Nature communications 11 (1), 5283, 2020 | 309 | 2020 |
| Mechanistic Evidence for Ligand-Centered Electrocatalytic Oxygen Reduction with the Conductive MOF Ni3(hexaiminotriphenylene)2 EM Miner, S Gul, ND Ricke, E Pastor, J Yano, VK Yachandra, ... Acs Catalysis 7 (11), 7726-7731, 2017 | 169 | 2017 |
| σ-SCF: A direct energy-targeting method to mean-field excited states HZ Ye, M Welborn, ND Ricke, T Van Voorhis The Journal of chemical physics 147 (21), 2017 | 68 | 2017 |
| Molecular-level insights into oxygen reduction catalysis by graphite-conjugated active sites ND Ricke, AT Murray, JJ Shepherd, MG Welborn, T Fukushima, ... ACS Catalysis 7 (11), 7680-7687, 2017 | 39 | 2017 |
| Bootstrap embedding for molecules HZ Ye, ND Ricke, HK Tran, T Van Voorhis Journal of chemical theory and computation 15 (8), 4497-4506, 2019 | 34 | 2019 |
| Performance of Bootstrap Embedding for long-range interactions and 2D systems N Ricke, M Welborn, HZ Ye, T Van Voorhis Molecular Physics 115 (17-18), 2242-2253, 2017 | 26 | 2017 |
| Gas-phase ethylene polymerization by single-site Cr centers in a metal–organic framework HD Park, RJ Comito, Z Wu, G Zhang, N Ricke, C Sun, T Van Voorhis, ... ACS Catalysis 10 (6), 3864-3870, 2020 | 22 | 2020 |
| Incremental embedding: A density matrix embedding scheme for molecules HZ Ye, M Welborn, ND Ricke, T Van Voorhis The Journal of Chemical Physics 149 (19), 2018 | 19 | 2018 |
| N4 macrocycle models the active sites in Fe/N-doped carbon electrocatalysts, Nat. Commun. 11 (2020) 5283 T Marshall-Roth, NJ Libretto, AT Wrobel, KJ Anderton, ML Pegis, ... | 6 | |
| Combined experimental and theoretical study of deprotonated ferrocene: Anion photoelectron spectroscopy and density functional calculations N Ricke, SN Eustis, KH Bowen International Journal of Mass Spectrometry 357, 63-65, 2014 | 5 | 2014 |
| Machine Learning Identification of Active Sites in Graphite-Conjugated Catalysts K Lodaya, ND Ricke, K Chen, T Van Voorhis The Journal of Physical Chemistry C 127 (5), 2303-2313, 2023 | 3 | 2023 |
| Machine learning dynamic correlation in chemical kinetics CA Kim, ND Ricke, T Van Voorhis The Journal of Chemical Physics 155 (14), 2021 | 3 | 2021 |
| A Pyridinic Fe-N4 macrocycle effectively models the active sites in Fe/N-doped carbon electrocatalysts T Marshall-Roth, NJ Libretto, AT Wrobel, K Anderton, ND Ricke, ... | 2 | 2019 |
| Sticking to (first) principles: quantum molecular dynamics and Bayesian probabilistic methods to simulate aquatic pollutant absorption spectra K Trerayapiwat, N Ricke, P Cohen, A Poblete, H Rudel, SN Eustis Environmental Science: Processes & Impacts 18 (8), 1068-1077, 2016 | 2 | 2016 |
| Pyrazole compounds for organic light emitting diodes and other applications S Saykin, V Campbell, S Duhovic, DL Wheeler, K Ryan, SJ Eldo, ... US Patent App. 18/347,714, 2024 | | 2024 |
| Exploring Scaling Relations and Active Site Specificity of Graphite-Conjugated Catalysts Using Density Functional Theory ND Ricke, K Chen, T Van Voorhis The Journal of Physical Chemistry C 127 (28), 13582-13592, 2023 | | 2023 |
| Electronic control of transmittance of visible and near-infrared radiation D Sheberla, S Duhovic, SJ Eldo, NDP Ricke, NY Masse, S Saykin, ... US Patent App. 17/772,237, 2022 | | 2022 |
| Systems and methods for electrochromic molecules D Sheberla, S Duhovic, SJ Eldo, NDP Ricke, NY Masse, S Saykin, ... US Patent App. 17/724,782, 2022 | | 2022 |
| Quantum embedding for molecular systems H Ye, N Ricke, H Tran, T Van Voorhis ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Computational screening and machine learning for the design of heterogeneous oxygen reduction catalysts N Ricke, K Chen, T Marshall-Roth, T Van Voorhis ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
