84 citations · 502 across the 30 of their papers we have counts for
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A derivation of the conditions under which bosonic operators exactly capture fermionic structure and dynamics
Andrés Montoya-Castillo, Thomas E. Markland
The dynamics of many-body fermionic systems are important in problems ranging from catalytic reactions at electrochemical surfaces, to transport through nanojunctions, and offer a…
An accurate and efficient Ehrenfest dynamics approach for calculating linear and nonlinear electronic spectra
Austin O. Atsango, Andrés Montoya-Castillo, Thomas E. Markland
Linear and nonlinear electronic spectra provide an important tool to probe the absorption and transfer of electronic energy. Here we introduce a pure state Ehrenfest approach to ob…
Hot carrier extraction from 2D semiconductor photoelectrodes
Rachelle Austin, Yusef Farah, Thomas Sayer +4
Hot carrier-based energy conversion systems could double the efficiency of conventional solar energy technology or drive photochemical reactions that would not be possible using fu…
Compact and complete description of non-Markovian dynamics
Thomas Sayer, Andrés Montoya-Castillo
Generalized master equations provide a theoretically rigorous framework to capture the dynamics of processes ranging from energy harvesting in plants and photovoltaic devices, to q…
Optically induced anisotropy in time-resolved scattering: Imaging molecular scale structure and dynamics in disordered media with experiment and theory
Andrés Montoya-Castillo, Michael S. Chen, Sumana L. Raj +6
Time-resolved scattering experiments enable imaging of materials at the molecular scale with femtosecond time resolution. However, in disordered media they provide access to just o…