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Alexander J. White
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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
2912020
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
682018
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
672020
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
652012
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
592020
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
502020
Inelastic transport: a pseudoparticle approach
AJ White, M Galperin
Physical Chemistry Chemical Physics 14 (40), 13809-13819, 2012
462012
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
442018
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
392018
Raman scattering in molecular junctions: A pseudoparticle formulation
AJ White, S Tretiak, M Galperin
Nano letters 14 (2), 699-703, 2014
362014
Coherence in charge and energy transfer in molecular junctions
AJ White, U Peskin, M Galperin
Physical Review B 88 (20), 205424, 2013
352013
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
292017
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
282021
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
262022
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
252014
Molecular nanoplasmonics: self-consistent electrodynamics in current carrying junctions
AJ White, M Sukharev, M Galperin
Phys. Rev. B. 86 (20), 205324, 2012
252012
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
232016
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
182021
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
172022
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
172019
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Articles 1–20