Energy Transfer from Quantum Dots to Graphene and MoS2: The Role of Absorption and Screening in Two-Dimensional Materials A Raja, A Montoya− Castillo, J Zultak, XX Zhang, Z Ye, C Roquelet, ... Nano letters 16 (4), 2328-2333, 2016 | 218 | 2016 |
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 | 76 | 2019 |
Generalized quantum master equations in and out of equilibrium: When can one win? A Kelly, A Montoya-Castillo, L Wang, TE Markland The Journal of chemical physics 144 (18), 2016 | 74 | 2016 |
Approximate but accurate quantum dynamics from the Mori formalism: I. Nonequilibrium dynamics A Montoya-Castillo, DR Reichman The Journal of Chemical Physics 144 (18), 2016 | 64 | 2016 |
Extending the applicability of Redfield theories into highly non-Markovian regimes A Montoya-Castillo, TC Berkelbach, DR Reichman The Journal of Chemical Physics 143 (19), 2015 | 57 | 2015 |
On the advantages of exploiting memory in Markov state models for biomolecular dynamics S Cao, A Montoya-Castillo, W Wang, TE Markland, X Huang The Journal of Chemical Physics 153 (1), 2020 | 49 | 2020 |
Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics WC Pfalzgraff, A Montoya-Castillo, A Kelly, TE Markland The Journal of Chemical Physics 150 (24), 2019 | 45 | 2019 |
ESR in the 21st century: From buried valleys and deserts to the deep ocean and tectonic uplift BAB Blackwell, AR Skinner, JIB Blickstein, AC Montoya, JA Florentin, ... Earth-Science Reviews 158, 125-159, 2016 | 44 | 2016 |
Approximate but accurate quantum dynamics from the Mori formalism. II. Equilibrium time correlation functions A Montoya-Castillo, DR Reichman The Journal of chemical physics 146 (8), 2017 | 29 | 2017 |
ESR analyses for teeth from the open-air site at Attirampakkam, India: Clues to complex U uptake and paleoenvironmental change BAB Blackwell, A Montoya, JIB Blickstein, AR Skinner, S Pappu, ... Radiation Measurements 42 (6-7), 1243-1249, 2007 | 23 | 2007 |
Charge hopping dynamics along a disordered chain in quantum environments: Comparative study of different rate kernels S Jang, A Montoya-Castillo The Journal of Physical Chemistry B 119 (24), 7659-7665, 2015 | 21 | 2015 |
Excited state diabatization on the cheap using DFT: Photoinduced electron and hole transfer Y Mao, A Montoya-Castillo, TE Markland The Journal of Chemical Physics 153 (24), 2020 | 19 | 2020 |
Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals Y Mao, A Montoya-Castillo, TE Markland The Journal of Chemical Physics 151 (16), 2019 | 19 | 2019 |
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 | 17 | 2023 |
Path integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths A Montoya-Castillo, DR Reichman The Journal of Chemical Physics 146 (2), 2017 | 16 | 2017 |
Memory unlocks the future of biomolecular dynamics: Transformative tools to uncover physical insights accurately and efficiently AJ Dominic III, S Cao, A Montoya-Castillo, X Huang Journal of the American Chemical Society 145 (18), 9916-9927, 2023 | 10 | 2023 |
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 | 9 | 2023 |
Elucidating the role of hydrogen bonding in the optical spectroscopy of the solvated green fluorescent protein chromophore: using machine learning to establish the importance … MS Chen, Y Mao, A Snider, P Gupta, A Montoya-Castillo, TJ Zuehlsdorff, ... Journal of Physical Chemistry Letters 14 (29), 6610–6619, 2023 | 9 | 2023 |
On the exact continuous mapping of fermions A Montoya-Castillo, TE Markland Scientific reports 8 (1), 12929, 2018 | 7 | 2018 |
Compact and complete description of non-Markovian dynamics T Sayer, A Montoya-Castillo The Journal of Chemical Physics 158 (1), 2023 | 5 | 2023 |