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Alexander J. White, Ph.D. - Publications

Affiliations: 
2014 Chemistry University of California, San Diego, La Jolla, CA 
Area:
Electron Transport in Condensed Phases. Dissipation and Relaxation Processes. Non-equilibrium Open Quantum Systems. Molecular Electronics.
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26 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Song H, Freixas VM, Fernandez-Alberti S, White AJ, Zhang Y, Mukamel S, Govind N, Tretiak S. An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem. Journal of Chemical Theory and Computation. PMID 34014085 DOI: 10.1021/acs.jctc.1c00131  0.34
2021 Freixas VM, White AJ, Nelson T, Song H, Makhov DV, Shalashilin D, Fernandez-Alberti S, Tretiak S. Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence. The Journal of Physical Chemistry Letters. 2970-2982. PMID 33730495 DOI: 10.1021/acs.jpclett.1c00266  0.327
2020 Stolyarov EV, White AJ, Mozyrsky D. Mixed quantum-classical approach to model non-adiabatic electron-nuclear dynamics: Detailed balance and improved surface hopping method. The Journal of Chemical Physics. 153: 074116. PMID 32828087 DOI: 10.1063/5.0014284  0.364
2020 White AJ, Collins LA. Fast and Universal Kohn-Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma. Physical Review Letters. 125: 055002. PMID 32794867 DOI: 10.1103/Physrevlett.125.055002  0.359
2020 Malone W, Nebgen B, White A, Zhang Y, Song H, Bjorgaard JA, Sifain AE, Rodriguez-Hernandez B, Freixas VM, Fernandez-Alberti S, Roitberg AE, Nelson TR, Tretiak S. NEXMD Software Package for Non-adiabatic Excited State Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. PMID 32635739 DOI: 10.1021/Acs.Jctc.0C00248  0.395
2020 Clérouin J, Arnault P, Gréa BJ, Guisset S, Vandenboomgaerde M, White AJ, Collins LA, Kress JD, Ticknor C. Static and dynamic properties of multi-ionic plasma mixtures. Physical Review. E. 101: 033207. PMID 32289916 DOI: 10.1103/Physreve.101.033207  0.356
2020 Nelson TR, White AJ, Bjorgaard JA, Sifain AE, Zhang Y, Nebgen B, Fernandez-Alberti S, Mozyrsky D, Roitberg AE, Tretiak S. Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials. Chemical Reviews. PMID 32040312 DOI: 10.1021/Acs.Chemrev.9B00447  0.454
2019 White AJ, Ticknor C, Meyer ER, Kress JD, Collins LA. Multicomponent mutual diffusion in the warm, dense matter regime. Physical Review. E. 100: 033213. PMID 31639979 DOI: 10.1103/Physreve.100.033213  0.324
2019 Baskov R, White AJ, Mozyrsky D. An Improved Ehrenfest Approach to Model Correlated Electron-Nuclear Dynamics. The Journal of Physical Chemistry Letters. PMID 30621396 DOI: 10.1021/Acs.Jpclett.8B03061  0.416
2019 Clérouin J, Arnault P, Desbiens N, White AJ, Collins LA, Kress JD, Ticknor C. Checking the Salpeter enhancement of nuclear reactions at intermediate coupling in asymmetric mixtures Physics of Plasmas. 26: 012702. DOI: 10.1063/1.5065464  0.371
2018 Sifain AE, Bjorgaard JA, Nelson TR, Nebgen BT, White AJ, Gifford BJ, Gao DW, Prezhdo OV, Fernandez-Alberti S, Roitberg AE, Tretiak S. Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD Software. Journal of Chemical Theory and Computation. PMID 29874465 DOI: 10.1021/Acs.Jctc.8B00103  0.381
2017 White AJ, Collins LA, Kress JD, Ticknor C, Clérouin J, Arnault P, Desbiens N. Correlation and transport properties for mixtures at constant pressure and temperature. Physical Review. E. 95: 063202. PMID 28709340 DOI: 10.1103/Physreve.95.063202  0.327
2016 White A, Tretiak S, Mozyrsky D. Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces. Chemical Science. 7: 4905-4911. PMID 30155138 DOI: 10.1039/C6Sc01319H  0.411
2016 White A, Tretiak S, Mozyrsky D. Coupled wave-packets for non-adiabatic molecular dynamics: A generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces Chemical Science. 7: 4905-4911. DOI: 10.1039/c6sc01319h  0.306
2015 White AJ, Gorshkov VN, Tretiak S, Mozyrsky D. Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo. The Journal of Chemical Physics. 143: 014115. PMID 26156473 DOI: 10.1063/1.4923473  0.371
2014 Baratz A, White AJ, Galperin M, Baer R. Effects of Electromagnetic Coupling on Conductance Switching of a Gated Tunnel Junction. The Journal of Physical Chemistry Letters. 5: 3545-50. PMID 26278607 DOI: 10.1021/Jz501652Y  0.551
2014 White AJ, Gorshkov VN, Wang R, Tretiak S, Mozyrsky D. Semiclassical Monte Carlo: a first principles approach to non-adiabatic molecular dynamics. The Journal of Chemical Physics. 141: 184101. PMID 25399126 DOI: 10.1063/1.4900988  0.448
2014 White AJ, Tretiak S, Galperin M. Raman scattering in molecular junctions: a pseudoparticle formulation. Nano Letters. 14: 699-703. PMID 24447295 DOI: 10.1021/Nl4039532  0.586
2014 Baratz A, White AJ, Galperin M, Baer R. Effects of electromagnetic coupling on conductance switching of a gated tunnel junction Journal of Physical Chemistry Letters. 5: 3545-3550. DOI: 10.1021/jz501652y  0.47
2014 White AJ, Ochoa MA, Galperin M. Nonequilibrium atomic limit for transport and optical response of molecular junctions Journal of Physical Chemistry C. 118: 11159-11173. DOI: 10.1021/Jp500880J  0.668
2013 White AJ, Migliore A, Galperin M, Nitzan A. Quantum transport with two interacting conduction channels. The Journal of Chemical Physics. 138: 174111. PMID 23656118 DOI: 10.1063/1.4802587  0.636
2013 White A, Galperin M, Apter B, Fainberg BD. Non-Markovian theory of collective plasmon-molecule excitations in nanojunctions combined with classical electrodynamic simulations Proceedings of Spie - the International Society For Optical Engineering. 8827. DOI: 10.1117/12.2023581  0.483
2013 White AJ, Peskin U, Galperin M. Coherence in charge and energy transfer in molecular junctions Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.205424  0.505
2012 White AJ, Galperin M. Inelastic transport: a pseudoparticle approach. Physical Chemistry Chemical Physics : Pccp. 14: 13809-19. PMID 22797677 DOI: 10.1039/C2Cp41017F  0.549
2012 White AJ, Sukharev M, Galperin M. Molecular nanoplasmonics: Self-consistent electrodynamics in current-carrying junctions Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.205324  0.539
2012 White AJ, Fainberg BD, Galperin M. Collective plasmon-molecule excitations in nanojunctions: Quantum consideration Journal of Physical Chemistry Letters. 3: 2738-2743. DOI: 10.1021/Jz301139Q  0.57
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