| 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 | 367 | 2020 |
| Detection of nucleic acids with graphene nanopores: ab initio characterization of a novel sequencing device T Nelson, B Zhang, OV Prezhdo Nano letters 10 (9), 3237-3242, 2010 | 319 | 2010 |
| Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak Accounts of chemical research 47 (4), 1155-1164, 2014 | 258 | 2014 |
| Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules S Fernandez-Alberti, AE Roitberg, T Nelson, S Tretiak The Journal of chemical physics 137 (1), 2012 | 229 | 2012 |
| Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules T Nelson, S Fernandez-Alberti, V Chernyak, AE Roitberg, S Tretiak The Journal of Physical Chemistry B 115 (18), 5402-5414, 2011 | 201 | 2011 |
| Nonadiabatic excited-state molecular dynamics: Treatment of electronic decoherence T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak The Journal of Chemical Physics 138, 224111, 2013 | 171 | 2013 |
| Unhappy vertices in artificial spin ice: new degeneracies from vertex frustration MJ Morrison, TR Nelson, C Nisoli New Journal of Physics 15 (4), 045009, 2013 | 167 | 2013 |
| Femtosecond torsional relaxation J Clark, T Nelson, S Tretiak, G Cirmi, G Lanzani Nature Physics 8 (3), 225, 2012 | 152 | 2012 |
| Nonadiabatic excited-state molecular dynamics: Numerical tests of convergence and parameters T Nelson, S Fernandez-Alberti, V Chernyak, AE Roitberg, S Tretiak The Journal of chemical physics 136 (5), 2012 | 103 | 2012 |
| Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions Y Zhang, T Nelson, S Tretiak, H Guo, GC Schatz ACS nano 12 (8), 8415-8422, 2018 | 89 | 2018 |
| Coherent exciton-vibrational dynamics and energy transfer in conjugated organics TR Nelson, D Ondarse-Alvarez, N Oldani, B Rodriguez-Hernandez, ... Nature communications 9 (1), 2316, 2018 | 85 | 2018 |
| 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 | 81 | 2020 |
| Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers S Fernandez-Alberti, AE Roitberg, VD Kleiman, T Nelson, S Tretiak The Journal of chemical physics 137 (22), 2012 | 73 | 2012 |
| Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak The Journal of Physical Chemistry Letters 8 (13), 3020-3031, 2017 | 71 | 2017 |
| Artifacts due to trivial unavoided crossings in the modeling of photoinduced energy transfer dynamics in extended conjugated molecules T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak Chemical Physics Letters 590, 208-213, 2013 | 65 | 2013 |
| Analysis of State-Specific Vibrations Coupled to the Unidirectional Energy Transfer in Conjugated Dendrimers MA Soler, AE Roitberg, T Nelson, S Tretiak, S Fernandez-Alberti The Journal of Physical Chemistry A 116 (40), 9802-9810, 2012 | 62 | 2012 |
| 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 | 54 | 2016 |
| Extremely Long Nonradiative Relaxation of Photoexcited Graphane Is Greatly Accelerated by Oxidation: Time-Domain Ab Initio Study TR Nelson, OV Prezhdo Journal of the American Chemical Society 135 (9), 3702-3710, 2013 | 50 | 2013 |
| Interference of interchromophoric energy-transfer pathways in π-conjugated macrocycles L Alfonso Hernandez, T Nelson, MF Gelin, JM Lupton, S Tretiak, ... The journal of physical chemistry letters 7 (23), 4936-4944, 2016 | 48 | 2016 |
| 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 | 47 | 2018 |
Sergei TretiakLos Alamos National Laboratoryכתובת אימייל מאומתת בדומיין lanl.gov