| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 554 | 2020 |
| Decoherence-induced surface hopping HM Jaeger, S Fischer, OV Prezhdo The Journal of chemical physics 137 (22), 2012 | 546 | 2012 |
| Ice-nucleating bacteria control the order and dynamics of interfacial water R Pandey, K Usui, RA Livingstone, SA Fischer, J Pfaendtner, EHG Backus, ... Science advances 2 (4), e1501630, 2016 | 226 | 2016 |
| Regarding the validity of the time-dependent Kohn–Sham approach for electron-nuclear dynamics via trajectory surface hopping SA Fischer, BF Habenicht, AB Madrid, WR Duncan, OV Prezhdo The Journal of Chemical Physics 134 (2), 2011 | 207 | 2011 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 188 | 2020 |
| Passivating ligand and solvent contributions to the electronic properties of semiconductor nanocrystals SA Fischer, AM Crotty, SV Kilina, SA Ivanov, S Tretiak Nanoscale 4 (3), 904-914, 2012 | 170 | 2012 |
| Energy-specific linear response TDHF/TDDFT for calculating high-energy excited states W Liang, SA Fischer, MJ Frisch, X Li Journal of chemical theory and computation 7 (11), 3540-3547, 2011 | 123 | 2011 |
| Ab Initio Nonadiabatic Molecular Dynamics of Wet-Electrons on the TiO2 Surface SA Fischer, WR Duncan, OV Prezhdo Journal of the American Chemical Society 131 (42), 15483-15491, 2009 | 107 | 2009 |
| Excited state absorption from real-time time-dependent density functional theory SA Fischer, CJ Cramer, N Govind Journal of chemical theory and computation 11 (9), 4294-4303, 2015 | 84 | 2015 |
| Infrared and Raman spectroscopy from ab initio molecular dynamics and static normal mode analysis: The C–H region of DMSO as a case study SA Fischer, TW Ueltschi, PZ El-Khoury, AL Mifflin, WP Hess, HF Wang, ... The Journal of Physical Chemistry B 120 (8), 1429-1436, 2016 | 55 | 2016 |
| Surface hopping with Ehrenfest excited potential SA Fischer, CT Chapman, X Li The Journal of chemical physics 135 (14), 2011 | 52 | 2011 |
| Solvated first-principles excited-state charge-transfer dynamics with time-dependent polarizable continuum model and solvent dielectric relaxation PD Nguyen, F Ding, SA Fischer, W Liang, X Li The Journal of Physical Chemistry Letters 3 (19), 2898-2904, 2012 | 50 | 2012 |
| Multiple exciton generation in small Si clusters: A high-level, ab initio study SA Fischer, AB Madrid, CM Isborn, OV Prezhdo The Journal of Physical Chemistry Letters 1 (1), 232-237, 2010 | 49 | 2010 |
| Excited states and optical absorption of small semiconducting clusters: Dopants, defects and charging SA Fischer, CM Isborn, OV Prezhdo Chemical Science 2 (3), 400-406, 2011 | 44 | 2011 |
| Correlated dynamics in aqueous proton diffusion SA Fischer, BI Dunlap, D Gunlycke Chemical science 9 (35), 7126-7132, 2018 | 39 | 2018 |
| Conditions for directional charge transfer in CdSe quantum dots functionalized by Ru (II) polypyridine complexes S Kilina, P Cui, SA Fischer, S Tretiak The Journal of Physical Chemistry Letters 5 (20), 3565-3576, 2014 | 37 | 2014 |
| Excited-state absorption from real-time time-dependent density functional theory: optical limiting in Zinc phthalocyanine SA Fischer, CJ Cramer, N Govind The journal of physical chemistry letters 7 (7), 1387-1391, 2016 | 36 | 2016 |
| Analysis of correlated dynamics in the Grotthuss mechanism of proton diffusion SA Fischer, D Gunlycke The Journal of Physical Chemistry B 123 (26), 5536-5544, 2019 | 34 | 2019 |
| Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory DN Bowman, JC Asher, SA Fischer, CJ Cramer, N Govind Physical Chemistry Chemical Physics 19 (40), 27452-27462, 2017 | 34 | 2017 |
| The role of surface defects in multi-exciton generation of lead selenide and silicon semiconductor quantum dots HM Jaeger, S Fischer, OV Prezhdo The Journal of Chemical Physics 136 (6), 2012 | 33 | 2012 |
