Alexander J. White, Ph.D.

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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"Alexander White"
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SNBCP

Parents

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Michael Galperin grad student 2014 UCSD
 (Electron Transport, Energy Transfer, and Optical Response in Single Molecule Junctions.)
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Publications

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Song H, Freixas VM, Fernandez-Alberti S, et al. (2021) An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem. Journal of Chemical Theory and Computation
Freixas VM, White AJ, Nelson T, et al. (2021) Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence. The Journal of Physical Chemistry Letters. 2970-2982
Malone W, Nebgen B, White A, et al. (2020) NEXMD Software Package for Non-adiabatic Excited State Molecular Dynamics Simulations. Journal of Chemical Theory and Computation
Nelson TR, White AJ, Bjorgaard JA, et al. (2020) Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials. Chemical Reviews
Sifain AE, Bjorgaard JA, Nelson TR, et al. (2018) Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD Software. Journal of Chemical Theory and Computation
Starzmann J, Hughes FR, White AJ, et al. (2017) Numerical Investigation of Boundary Layers in Wet Steam Nozzles Journal of Engineering For Gas Turbines and Power. 139
White A, Tretiak S, Mozyrsky D. (2016) 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
Hughes FR, Starzmann J, White AJ, et al. (2016) A comparison of modeling techniques for polydispersed droplet spectra in steam turbines Journal of Engineering For Gas Turbines and Power. 138
White A, Tretiak S, Mozyrsky D. (2016) 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
White AJ, Gorshkov VN, Tretiak S, et al. (2015) Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo. The Journal of Chemical Physics. 143: 014115
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