| 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 | 341 | 2020 |
| 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 | 77 | 2020 |
| Ab Initio Studies on the Stopping Power of Warm Dense Matter with Time-Dependent Orbital-Free Density Functional Theory YH Ding, AJ White, SX Hu, O Certik, LA Collins Physical Review Letters 121 (14), 145001, 2018 | 73 | 2018 |
| Review of the first charged-particle transport coefficient comparison workshop PE Grabowski, SB Hansen, MS Murillo, LG Stanton, FR Graziani, ... High Energy Density Physics 37, 100905, 2020 | 68 | 2020 |
| Collective plasmon-molecule excitations in nanojunctions: Quantum consideration AJ White, BD Fainberg, M Galperin The Journal of Physical Chemistry Letters 3 (19), 2738-2743, 2012 | 65 | 2012 |
| Fast and Universal Kohn Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma AJ White, LA Collins Physical Review Letters 125, 055002, 2020 | 61 | 2020 |
| 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 | 46 | 2018 |
| Inelastic transport: a pseudoparticle approach AJ White, M Galperin Physical Chemistry Chemical Physics 14 (40), 13809-13819, 2012 | 46 | 2012 |
| Time-dependent orbital-free density functional theory for electronic stopping power: Comparison to the Mermin-Kohn-Sham theory at high temperatures AJ White, O Certik, YH Ding, SX Hu, LA Collins Physical Review B 98 (14), 144302, 2018 | 44 | 2018 |
| Proton stopping measurements at low velocity in warm dense carbon S Malko, W Cayzac, V Ospina-Bohorquez, K Bhutwala, ... Nature Communications 13 (1), 2893, 2022 | 37 | 2022 |
| Nonadiabatic excited-state molecular dynamics methodologies: Comparison and convergence VM Freixas, AJ White, T Nelson, H Song, DV Makhov, D Shalashilin, ... The Journal of Physical Chemistry Letters 12 (11), 2970-2982, 2021 | 36 | 2021 |
| Raman scattering in molecular junctions: A pseudoparticle formulation AJ White, S Tretiak, M Galperin Nano letters 14 (2), 699-703, 2014 | 36 | 2014 |
| Coherence in charge and energy transfer in molecular junctions AJ White, U Peskin, M Galperin Physical Review B—Condensed Matter and Materials Physics 88 (20), 205424, 2013 | 34 | 2013 |
| Correlation and transport properties for mixtures at constant pressure and temperature AJ White, LA Collins, JD Kress, C Ticknor, J Clérouin, P Arnault, ... Physical Review E 95 (6), 063202, 2017 | 31 | 2017 |
| Nonequilibrium atomic limit for transport and optical response of molecular junctions AJ White, MA Ochoa, M Galperin The Journal of Physical Chemistry C 118 (21), 11159-11173, 2014 | 26 | 2014 |
| Molecular nanoplasmonics: self-consistent electrodynamics in current carrying junctions AJ White, M Sukharev, M Galperin Phys. Rev. B. 86 (20), 205324, 2012 | 24 | 2012 |
| An ab initio multiple cloning method for non-adiabatic excited-state molecular dynamics in NWChem H Song, VM Freixas, S Fernandez-Alberti, AJ White, Y Zhang, S Mukamel, ... Journal of Chemical Theory and Computation 17 (6), 3629-3643, 2021 | 23 | 2021 |
| Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces A White, S Tretiak, D Mozyrsky Chemical science 7 (8), 4905-4911, 2016 | 23 | 2016 |
| Mixed stochastic-deterministic time-dependent density functional theory: application to stopping power of warm dense carbon AJ White, LA Collins, K Nichols, SX Hu Journal of Physics: Condensed Matter 34 (17), 174001, 2022 | 20 | 2022 |
| Multicomponent mutual diffusion in the warm, dense matter regime AJ White, C Ticknor, ER Meyer, JD Kress, LA Collins Physical Review E 100 (3), 033213, 2019 | 18 | 2019 |
Sergei TretiakLos Alamos National LaboratoryVerified email at lanl.gov
