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Journal of Chemical Theory and Computation|November 19, 2015
Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter InteractionAlexey V Akimov, Oleg V PrezhdoPhysical Review Letters|November 7, 2014
Second-quantized surface hoppingAlexey V Akimov, Oleg V PrezhdoThe Journal of Chemical Physics|December 20, 2012
Formulation of quantized Hamiltonian dynamics in terms of natural variablesAlexey V Akimov, Oleg V PrezhdoJournal of the American Chemical Society|January 9, 2014
Nonadiabatic dynamics of charge transfer and singlet fission at the pentacene/C60 interfaceAlexey V Akimov, Oleg V PrezhdoJournal of Chemical Theory and Computation|November 20, 2015
The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter SystemsAlexey V Akimov, Oleg V PrezhdoThe Journal of Chemical Physics|May 24, 2014
Coherence penalty functional: a simple method for adding decoherence in Ehrenfest dynamicsAlexey V Akimov, Run Long, Oleg V PrezhdoJournal of the American Chemical Society|May 18, 2013
Nonadiabatic dynamics of positive charge during photocatalytic water splitting on GaN(10-10) surface: charge localization governs splitting efficiencyAlexey V Akimov, James T Muckerman, Oleg V PrezhdoJournal of the American Chemical Society|August 20, 2015
What Makes the Photocatalytic CO2 Reduction on N-Doped Ta2O5 Efficient: Insights from Nonadiabatic Molecular DynamicsAlexey V Akimov, Ryoji Asahi, Ryosuke Jinnouchi, et al.The Journal of Chemical Physics|November 12, 2013
Quantized Hamiltonian dynamics captures the low-temperature regime of charge transport in molecular crystalsLinjun Wang, Alexey V Akimov, Liping Chen, et al.The Journal of Chemical Physics|January 14, 2014
Analysis of depolarization ratios of ClNO(2) dissolved in methanolMarilena Trimithioti, Alexey V Akimov, Oleg V Prezhdo, et al.Pageof 42