| Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches TJ Zuehlsdorff, A Montoya-Castillo, JA Napoli, TE Markland, CM Isborn The Journal of Chemical Physics 151 (7), 2019 | 97 | 2019 |
| Tracking aqueous proton transfer by two-dimensional infrared spectroscopy and ab initio molecular dynamics simulations R Yuan, JA Napoli, C Yan, O Marsalek, TE Markland, MD Fayer ACS Central Science 5 (7), 1269-1277, 2019 | 80 | 2019 |
| Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water TJ Zuehlsdorff, JA Napoli, JM Milanese, TE Markland, CM Isborn The Journal of Chemical Physics 149 (2), 2018 | 53 | 2018 |
| Decoding the spectroscopic features and time scales of aqueous proton defects JA Napoli, O Marsalek, TE Markland The Journal of chemical physics 148 (22), 2018 | 47 | 2018 |
| Elucidating the proton transport pathways in liquid imidazole with first-principles molecular dynamics Z Long, AO Atsango, JA Napoli, TE Markland, ME Tuckerman The Journal of Physical Chemistry Letters 11 (15), 6156-6163, 2020 | 32 | 2020 |
| Resolving heterogeneous dynamics of excess protons in aqueous solution with rate theory S Roy, GK Schenter, JA Napoli, MD Baer, TE Markland, CJ Mundy The Journal of Physical Chemistry B 124 (27), 5665-5675, 2020 | 30 | 2020 |
| Multitask Deep Learning Models of Combined Industrial Absorption, Distribution, Metabolism, and Excretion Datasets to Improve Generalization JA Napoli, M Reutlinger, P Brandl, W Wang, J Hert, P Desai Molecular Pharmaceutics, 2025 | 9 | 2025 |
| Advances in the application of in silico admet models–an industry perspective W Wang, F Melnikov, J Napoli, P Desai Computational Drug Discovery: Methods and Applications 2, 495-535, 2024 | 8 | 2024 |
| Collapsing nanoparticle-laden nanotubes JA Napoli, A Šarić, A Cacciuto Soft Matter 9 (37), 8881-8886, 2013 | 4 | 2013 |
| Optimizing the discovery bioanalysis strategy for macrocyclic peptides X Zhang, S Dale, Y Cui, J Napoli, H Nguyen, J Cai, B Dean Analytical and Bioanalytical Chemistry, 1-13, 2025 | | 2025 |
| Direct observation of proton hopping in water/HCl solutions by 2D IR spectroscopy and ab initio simulations M Fayer, R Yuan, J Napoli, T Markland ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| New methods for revealing the effects of solvent in optical spectroscopy T Zuehlsdorff, AM Castillo, S Shedge, J Napoli, M Servis, A Clark, L Shi, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Static and dynamic approaches to computing spectral lineshapes T Zuehlsdorff, AM Castillo, J Napoli, T Markland, C Isborn ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Tracking Aqueous Proton Transfer by Two-Dimensional Infrared Spectroscopy and ab Initio R Yuan, JA Napoli, C Yan ACS central science, 5 (7), 2019 | | 2019 |
| Dynamics of Hydrogen Bonds and Proton Defects in the Condensed Phase JA Napoli Stanford University, 2019 | | 2019 |
| Predicting Political Ideology Using Campaign Finance Data KA McKiernan, JA Napoli | | 2015 |
