Alexander J. White

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Sergei TretiakLos Alamos National LaboratoryVerified email at lanl.gov
Michael GalperinProfessor, University of California San DiegoVerified email at ucsd.edu
Sebastian Fernandez AlbertiUniversidad Nacional de QuilmesVerified email at unq.edu.ar
Yu ZhangTheoretical Division, Los Alamos National LaboratoryVerified email at lanl.gov
Josiah BjorgaardSyntensor, Inc.Verified email at josiahbjorgaard.com
Andrew E. SifainThe University of Texas MD Anderson Cancer CenterVerified email at mdanderson.org
Benjamin NebgenVerified email at cornell.edu
Suxing HuDistinguished Scientist/Group Leader, Laboratory for Laser Energetics (LLE), University of RochesterVerified email at lle.rochester.edu
Joel D KressLos Alamos National Laboratory; Iowa State UniversityVerified email at cybermesa.com
Christopher TicknorTheoretical Division, Los Alamos National LaboratoryVerified email at lanl.gov
Victor M. FreixasUniversity of California, IrvineVerified email at uci.edu
Huajing (Wilson) SongPrincipal Engineer, Ph.D., Pratt & Whitney, Raytheon TechnologiesVerified email at prattwhitney.com
jean ClerouinCEAVerified email at cea.fr
Philippe ArnaultCEAVerified email at cea.fr
Yanhao DingUniversity of RochesterVerified email at ur.rochester.edu
Ondřej ČertíkLos Alamos National LaboratoryVerified email at certik.us
boris fainbergProfessor of Chemical Physics, Holon Institute of TechnologyVerified email at hit.ac.il
Vyacheslav GorshkovNational Technical University of Ukraine "Igor Sikorsky Kyiv Polytechnic Institute"Verified email at kpi.ua
Brendan J. Gifford (Ph.D.)Los Alamos National LaboratoryVerified email at lanl.gov
Uri PeskinProfessor of Chemistry, Technion-Israel Institue of TechnologyVerified email at tx.technion.ac.il

Alexander J. White

Theoretical Division, Los Alamos National Laboratory

Verified email at lanl.gov - Homepage

Theoretical Chemistry Warm Dense Matter Nonadiabatic Dynamics DFT Quantum Transport


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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	281	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	67	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
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	63	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	56	2020
Inelastic transport: a pseudoparticle approach AJ White, M Galperin Physical Chemistry Chemical Physics 14 (40), 13809-13819, 2012	46	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	43	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	43	2018
Raman scattering in molecular junctions: A pseudoparticle formulation AJ White, S Tretiak, M Galperin Nano letters 14 (2), 699-703, 2014	36	2014
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	35	2018
Coherence in charge and energy transfer in molecular junctions AJ White, U Peskin, M Galperin Physical Review B 88 (20), 205424, 2013	35	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	29	2017
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	28	2021
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	25	2022
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	25	2014
Molecular nanoplasmonics: self-consistent electrodynamics in current carrying junctions AJ White, M Sukharev, M Galperin Phys. Rev. B. 86 (20), 205324, 2012	25	2012
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
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	17	2021
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	17	2019
Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics AJ White, VN Gorshkov, R Wang, S Tretiak, D Mozyrsky The Journal of Chemical Physics 141 (18), 2014	17	2014

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