| Correlated energy-level alignment effects determine substituent-tuned single-molecule conductance JA Ivie, ND Bamberger, KN Parida, S Shepard, D Dyer, A Saraiva-Souza, ... ACS Applied Materials & Interfaces 13 (3), 4267-4277, 2021 | 19 | 2021 |
| First principles study of graphene on metals with the SCAN and SCAN+ rVV10 functionals S Shepard, M Smeu The Journal of chemical physics 150 (15), 2019 | 19 | 2019 |
| Ab initio investigation into the physisorption of noble gases on graphene R Shepard, S Shepard, M Smeu Surface Science 682, 38-42, 2019 | 15 | 2019 |
| Ab initio study of structural and electronic properties of copper and nickel tungstate S Shepard, M Smeu Computational Materials Science 143, 301-307, 2018 | 12 | 2018 |
| Double excitation energies from quantum Monte Carlo using state-specific energy optimization S Shepard, RL Panadés-Barrueta, S Moroni, A Scemama, C Filippi Journal of chemical theory and computation 18 (11), 6722-6731, 2022 | 9 | 2022 |
| Combined Impact of Denticity and Orientation on Molecular-Scale Charge Transport P Yasini, S Shepard, T Albrecht, M Smeu, E Borguet The Journal of Physical Chemistry C 124 (17), 9460-9469, 2020 | 7 | 2020 |
| Modulation of Charge Transport through Single Molecules Induced by Solvent-Stabilized Intramolecular Charge Transfer P Yasini, S Shepard, M Smeu, E Borguet The Journal of Physical Chemistry B 127 (45), 9771-9780, 2023 | | 2023 |
| Championing stochastic electronic structure methods with CHAMP RL Shinde, EJL Borda, S Shepard, A Cuzzocrea, A Scemama, C Filippi Psi-k Conference 2022, 2022 | | 2022 |
| Modeling Conductance Variation Mechanisms in Single Molecule Junctions SC Shepard State University of New York at Binghamton, 2021 | | 2021 |
| Ab initio study of the single molecule conductance of TCNQ and F4TCNQ using NEGF-DFT S Shepard, M Smeu APS March Meeting Abstracts 2019, B16. 014, 2019 | | 2019 |
| Density Functional Theory Calculations of Graphene-Substrate Systems S Shepard, M Smeu APS March Meeting Abstracts 2018, L40. 005, 2018 | | 2018 |
Manuel SmeuAssociate Professor of Physics, Binghamton UniversityVerified email at binghamton.edu
