| Modelling electrochemical systems with finite field molecular dynamics C Zhang, T Sayer, J Hutter, M Sprik Journal of Physics: Energy 2 (3), 032005, 2020 | 66 | 2020 |
| Building insightful, memory-enriched models to capture long-time biochemical processes from short-time simulations AJ Dominic III, T Sayer, S Cao, TE Markland, X Huang, A Montoya-Castillo Proceedings of the National Academy of Sciences 120 (12), e2221048120, 2023 | 24 | 2023 |
| Finite electric displacement simulations of polar ionic solid-electrolyte interfaces: Application to NaCl (111)/aqueous NaCl solution T Sayer, M Sprik, C Zhang The Journal of Chemical Physics 150 (4), 041716, 2019 | 24 | 2019 |
| Stabilization of AgI's polar surfaces by the aqueous environment, and its implications for ice formation T Sayer, SJ Cox Physical Chemistry Chemical Physics 21 (27), 14546-14555, 2019 | 23 | 2019 |
| Charge compensation at the interface between the polar NaCl (111) surface and a NaCl aqueous solution T Sayer, C Zhang, M Sprik The Journal of Chemical Physics 147 (10), 104702, 2017 | 23 | 2017 |
| Macroscopic surface charges from microscopic simulations T Sayer, SJ Cox The Journal of Chemical Physics 153 (16), 2020 | 14 | 2020 |
| Hot carrier extraction from 2D semiconductor photoelectrodes R Austin, YR Farah, T Sayer, BM Luther, A Montoya-Castillo, AT Krummel, ... Proceedings of the National Academy of Sciences 120 (15), e2220333120, 2023 | 13 | 2023 |
| Efficient formulation of multitime generalized quantum master equations: Taming the cost of simulating 2D spectra T Sayer, A Montoya-Castillo The Journal of Chemical Physics 160 (4), 2024 | 9 | 2024 |
| Anomalous transport of small polarons arises from transient lattice relaxation or immovable boundaries S Bhattacharyya, T Sayer, A Montoya-Castillo The Journal of Physical Chemistry Letters 15 (5), 1382-1389, 2024 | 8 | 2024 |
| Quantifying interfacial energetics of 2D semiconductor electrodes using in situ spectroelectrochemistry and many-body theory R Almaraz, T Sayer, J Toole, R Austin, Y Farah, N Trainor, JM Redwing, ... Energy and Environmental Science 16 (10), 4522–4529, 2023 | 8 | 2023 |
| Trion Formation Resolves Observed Peak Shifts in the Optical Spectra of Transition-Metal Dichalcogenides T Sayer, YR Farah, R Austin, J Sambur, AT Krummel, A Montoya-Castillo Nano Letters 23 (13), 6035–6041, 2023 | 7 | 2023 |
| Compact and complete description of non-Markovian dynamics T Sayer, A Montoya-Castillo The Journal of Chemical Physics 158 (1), 2023 | 7 | 2023 |
| Mori generalized master equations offer an efficient route to predict and interpret polaron transport S Bhattacharyya, T Sayer, A Montoya-Castillo Chemical Science 15 (40), 16715-16723, 2024 | 3 | 2024 |
| Electrified/charged aqueous interfaces: general discussion XR Advincula, EHG Backus, M Bonn, SJ Cox, U Diebold, A Fellows, ... Faraday Discussions 249, 381-407, 2024 | 2 | 2024 |
| Nonequilibrium relaxation exponentially delays the onset of quantum diffusion S Bhattacharyya, T Sayer, A Montoya-Castillo arXiv preprint arXiv:2411.17021, 2024 | 1 | 2024 |
| Space-local memory in generalized master equations: Reaching the thermodynamic limit for the cost of a small lattice simulation S Bhattacharyya, T Sayer, A Montoya-Castillo arXiv preprint arXiv:2411.08598, 2024 | 1 | 2024 |
| Mori generalized master equations offer an efficient route to predict and interpret transport S Bhattacharyya, T Sayer, A Montoya-Castillo arXiv preprint arXiv:2405.01781, 2024 | 1 | 2024 |
| Bandgap Renormalization Drives Band Edge Movement at 2D Semiconductor/Electrolyte Interfaces J Sambur, R Almaraz, A Tews, T Sayer, J Toole, A Montoya-Castillo 247th ECS Meeting (May 18-22, 2025), 2025 | | 2025 |
| Hiding in plain sight: The prevalence and impact of trions and Fermi polarons in transient absorption spectroscopy experiments of 2D semiconductors R Austin, T Sayer, Y Farah, A Montoya-Castillo, AT Krummel, JB Sambur The Journal of Chemical Physics 161 (19), 2024 | | 2024 |
| (Invited) Photoelectrochemistry of Monolayer 2D Semiconductors: Quantifying Band Gap Renormalization Effects and Hot Carrier Extraction J Sambur, R Austin, R Almaraz, A Krummel, A Montoya-Castillo, T Sayer, ... Electrochemical Society Meeting Abstracts 245, 1015-1015, 2024 | | 2024 |
Andrés Montoya-CastilloAssistant Professor of Chemistry, University of Colorado BoulderAdresă de e-mail confirmată pe colorado.edu