Representation of molecular structures with persistent homology for machine learning applications in chemistry J Townsend, CP Micucci, JH Hymel, V Maroulas, KD Vogiatzis Nature communications 11 (1), 3230, 2020 | 119 | 2020 |
CO2 Capture on Functionalized Calixarenes: A Computational Study JH Hymel, J Townsend, KD Vogiatzis The Journal of Physical Chemistry A 123 (46), 10116-10122, 2019 | 14 | 2019 |
Representation of molecular structures with persistent homology leads to the discovery of molecular groups with enhanced co2 binding J Townsend, CP Micucci, JH Hymel, V Maroulas, K Vogiatzis | 3 | 2019 |
Computational Electrosynthesis Study of Anodic Intramolecular Olefin Coupling: Elucidating the Role of the Electrical Double Layer JH Hymel, SN Khan, JP Pederson, JG McDaniel The Journal of Physical Chemistry C 127 (39), 19489-19508, 2023 | 1 | 2023 |
Redox potentials in ionic liquids: Anomalous behavior? CA Renfro, JH Hymel, JG McDaniel The Journal of Chemical Physics 160 (20), 2024 | | 2024 |
(Invited) Dielectric Screening of Ionic Liquids and Implications for Their Capacitance, Solvation, and Structural Properties J McDaniel, J Hymel, CA Renfro Electrochemical Society Meeting Abstracts 242, 2098-2098, 2022 | | 2022 |
Ion-Pairing Effects on the Absolute Oxidation Potential of the Fc/Fc+ Redox Couple in Complex Non-Aqueous Environments J Hymel, J McDaniel Electrochemical Society Meeting Abstracts 242, 2607-2607, 2022 | | 2022 |