| Long-time oxygen localization in electron transfer flavoprotein KM Salerno, J Domenico, NQ Le, CD Stiles, IA Solov’yov, CF Martino Journal of Chemical Information and Modeling 62 (17), 4191-4199, 2022 | 7 | 2022 |
| Effect of solvent and substrate on the surface binding mode of carboxylate-functionalized aromatic molecules J Domenico, ME Foster, ED Spoerke, MD Allendorf, K Sohlberg The Journal of Physical Chemistry C 122 (20), 10846-10856, 2018 | 7 | 2018 |
| From benzene to graphene: exploring the electronic structure of single-layer and bilayer graphene using polycyclic aromatic hydrocarbons J Domenico, AM Schneider, K Sohlberg Journal of Chemical Education 96 (10), 2225-2237, 2019 | 5 | 2019 |
| Long-Time Oxygen and Superoxide Localization in Arabidopsis thaliana Cryptochrome KM Salerno, J Domenico, NQ Le, K Balakrishnan, RJ McQuillen, ... Journal of Chemical Information and Modeling 63 (21), 6756-6767, 2023 | 3 | 2023 |
| Closed-loop machine learning for discovery of novel superconductors EA Pogue, A New, K McElroy, NQ Le, MJ Pekala, I McCue, E Gienger, ... arXiv preprint arXiv:2212.11855, 2022 | 3 | 2022 |
| Developing a nitrile-based lithium-conducting electrolyte for low temperature operation SA Langevin, MM McGuire, NQ Le, E Ragasa, T Hamann, G Ferguson, ... Journal of Materials Chemistry A 10 (37), 19972-19983, 2022 | 3 | 2022 |
| Deep Learning Models to Identify Common Phases across Material Systems from X-ray Diffraction NQ Le, M Pekala, A New, EB Gienger, C Chung, TJ Montalbano, ... The Journal of Physical Chemistry C 127 (44), 21758-21767, 2023 | 2 | 2023 |
| Curvature-informed multi-task learning for graph networks A New, MJ Pekala, NQ Le, J Domenico, CD Piatko, CD Stiles arXiv preprint arXiv:2208.01684, 2022 | 2 | 2022 |
| Closed-loop superconducting materials discovery EA Pogue, A New, K McElroy, NQ Le, MJ Pekala, I McCue, E Gienger, ... npj Computational Materials 9 (1), 181, 2023 | 1 | 2023 |
| Evaluating AI-guided Design for Scientific Discovery M Pekala, EA Pogue, K McElroy, A New, G Bassen, B Wilfong, ... AI for Accelerated Materials Design-NeurIPS 2023 Workshop, 2023 | | 2023 |
| Evaluating the diversity and utility of materials proposed by generative models A New, M Pekala, EA Pogue, NQ Le, J Domenico, CD Piatko, CD Stiles arXiv preprint arXiv:2309.12323, 2023 | | 2023 |
| Theoretical Considerations and Computational Strategies for Molecular Electronic Device Design J Domenico Drexel University, 2019 | | 2019 |
| Effect of solvent and substrate on dye molecule orientation for DSSC applications J Domenico, M Foster, M Allendorf, K Sohlberg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Tool for screening possible MOF/TiO2 interface linker species J Domenico, M Foster, K Sohlberg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Electron injection at the PTCDA/metal interface detected by electron paramagnetic resonance GJ Gerardi, J Domenico, A Muraca, HK Gerardi Chemical Physics Letters 593, 45-47, 2014 | | 2014 |
| Atomic-Scale Modeling for Materials and Chemistry NQ Le, J Domenico, KM Salerno, CD Stiles | | |
