| Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials TR Nelson, AJ White, JA Bjorgaard, AE Sifain, Y Zhang, B Nebgen, ... Chemical reviews 120 (4), 2215-2287, 2020 | 280 | 2020 |
| Energetic chromophores: low-energy laser initiation in explosive Fe (II) tetrazine complexes TW Myers, JA Bjorgaard, KE Brown, DE Chavez, SK Hanson, RJ Scharff, ... Journal of the American Chemical Society 138 (13), 4685-4692, 2016 | 127 | 2016 |
| Quinoxaline-based semiconducting polymers: effect of fluorination on the photophysical, thermal, and charge transport properties A Iyer, J Bjorgaard, T Anderson, ME Köse Macromolecules 45 (16), 6380-6389, 2012 | 74 | 2012 |
| NEXMD software package for nonadiabatic excited state molecular dynamics simulations W Malone, B Nebgen, A White, Y Zhang, H Song, JA Bjorgaard, AE Sifain, ... Journal of Chemical Theory and Computation 16 (9), 5771-5783, 2020 | 67 | 2020 |
| Simulations of singlet exciton diffusion in organic semiconductors: a review JA Bjorgaard, ME Köse Rsc Advances 5 (11), 8432-8445, 2015 | 56 | 2015 |
| Ultrafast photodissociation dynamics of nitromethane T Nelson, J Bjorgaard, M Greenfield, C Bolme, K Brown, S McGrane, ... The Journal of Physical Chemistry A 120 (4), 519-526, 2016 | 51 | 2016 |
| Photoactive high explosives: linear and nonlinear photochemistry of petrin tetrazine chloride MT Greenfield, SD McGrane, CA Bolme, JA Bjorgaard, TR Nelson, ... The Journal of Physical Chemistry A 119 (20), 4846-4855, 2015 | 46 | 2015 |
| Photoexcited nonadiabatic dynamics of solvated push–pull π-conjugated oligomers with the NEXMD software AE Sifain, JA Bjorgaard, TR Nelson, BT Nebgen, AJ White, BJ Gifford, ... Journal of chemical theory and computation 14 (8), 3955-3966, 2018 | 43 | 2018 |
| Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients JA Bjorgaard, KA Velizhanin, S Tretiak The Journal of chemical physics 143 (5), 2015 | 38 | 2015 |
| Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations JA Bjorgaard, V Kuzmenko, KA Velizhanin, S Tretiak The Journal of Chemical Physics 142 (4), 2015 | 35 | 2015 |
| Tuning Photophysics and nonlinear absorption of bipyridyl Platinum (II) Bisstilbenylacetylide complexes by auxiliary substituents Z Li, E Badaeva, D Zhou, J Bjorgaard, KD Glusac, S Killina, W Sun The Journal of Physical Chemistry A 116 (20), 4878-4889, 2012 | 34 | 2012 |
| Synthesis, photophysics, and photovoltaic properties of low-band gap conjugated polymers based on thieno [3, 4-c] pyrrole-4, 6-dione: a combined experimental and computational … Z Lin, J Bjorgaard, AG Yavuz, A Iyer, ME Köse RSC advances 2 (2), 642-651, 2012 | 32 | 2012 |
| Theoretical study of torsional disorder in poly (3-alkylthiophene) single chains: Intramolecular charge-transfer character and implications for photovoltaic properties JA Bjorgaard, ME Kose The Journal of Physical Chemistry A 117 (18), 3869-3876, 2013 | 29 | 2013 |
| Simulations of exciton diffusion and trapping in semicrystalline morphologies of poly (3-hexylthiophene) JA Bjorgaard, ME Köse The Journal of Physical Chemistry C 118 (11), 5756-5761, 2014 | 25 | 2014 |
| Low band gap star-shaped molecules based on benzothia (oxa) diazole for organic photovoltaics Z Lin, J Bjorgaard, AG Yavuz, ME Köse The Journal of Physical Chemistry C 115 (30), 15097-15108, 2011 | 24 | 2011 |
| Two-photon absorption in conjugated energetic molecules JA Bjorgaard, AE Sifain, T Nelson, TW Myers, JM Veauthier, DE Chavez, ... The Journal of Physical Chemistry A 120 (26), 4455-4464, 2016 | 16 | 2016 |
| Effective solubilization of single-walled carbon nanotubes in THF using PEGylated corannulene dispersant B Yilmaz, J Bjorgaard, CL Colbert, JS Siegel, ME Kose Acs Applied Materials & Interfaces 5 (9), 3500-3503, 2013 | 15 | 2013 |
| Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT study AE Sifain, LF Tadesse, JA Bjorgaard, DE Chavez, OV Prezhdo, RJ Scharff, ... The Journal of Chemical Physics 146 (11), 2017 | 12 | 2017 |
| Simulations of fluorescence solvatochromism in substituted PPV oligomers from excited state molecular dynamics with implicit solvent JA Bjorgaard, T Nelson, K Kalinin, V Kuzmenko, KA Velizhanin, S Tretiak Chemical Physics Letters 631, 66-69, 2015 | 12 | 2015 |
| Extended Lagrangian excited state molecular dynamics JA Bjorgaard, D Sheppard, S Tretiak, AMN Niklasson Journal of Chemical Theory and Computation 14 (2), 799-806, 2018 | 10 | 2018 |
Sergei TretiakLos Alamos National LaboratoryVerified email at lanl.gov
