| A two-directional vibrational probe reveals different electric field orientations in solution and an enzyme active site C Zheng, Y Mao, J Kozuch, AO Atsango, Z Ji, TE Markland, SG Boxer Nature chemistry 14 (8), 891-897, 2022 | 58 | 2022 |
| 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 | 26 | 2020 |
| Interfacial properties of pure and doped CdS/graphene composites: CdS (0001)/graphene and a CdS/graphene bilayer LI Bendavid, AO Atsango, RW Smith Computational Materials Science 177, 109537, 2020 | 9 | 2020 |
| Developing machine-learned potentials to simultaneously capture the dynamics of excess protons and hydroxide ions in classical and path integral simulations AO Atsango, T Morawietz, O Marsalek, TE Markland The Journal of Chemical Physics 159 (7), 2023 | 8 | 2023 |
| Electric field orientations in solution and enzyme active site revealed by a two-directional vibrational probe C Zheng, Y Mao, J Kozuch, A Atsango, Z Ji, T Markland, S Boxer | 6 | 2021 |
| Characterizing and Contrasting Structural Proton Transport Mechanisms in Azole Hydrogen Bond Networks Using Ab Initio Molecular Dynamics AO Atsango, ME Tuckerman, TE Markland The Journal of Physical Chemistry Letters 12 (36), 8749-8756, 2021 | 6 | 2021 |
| An accurate and efficient Ehrenfest dynamics approach for calculating linear and nonlinear electronic spectra AO Atsango, A Montoya-Castillo, TE Markland The Journal of Chemical Physics 158 (7), 2023 | 5 | 2023 |
| A two-directional vibrational probe reveals the distinct electric field orientation at the active site of liver alcohol dehydrogenase C Zheng, Y Mao, JA Kozuch, AO Atsango, Z Ji, TE Markland, SG Boxer Biophysical Journal 121 (3), 441a, 2022 | | 2022 |
| Interfacial Properties of Solar Energy Materials from DFT: P3HT/ZnO and CdS/Graphene L Bendavid, L Kugelmass, A Atsango, R Smith Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Proton conductivity mechanism of liquid imidazole-an ab initio molecular dynamics study Z Long, A Atsango, J Napoli, T Markland, M Tuckerman Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Synthesis of chiral amines via early transition metal mediated asymmetric reductive hydrogenation of prochiral imines B Zhang, R Josef, JB Frazier, L Kugelmass, A Atsango, YY Kim, J Tanski ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Listen to your Data: Turning Chemical Dynamics Simulations into Music A Atsango, KG Johnson, S Holm | | |
Thomas MarklandAssociate Professor of Chemistry, Stanford UniversityAdresă de e-mail confirmată pe stanford.edu
