Andrés Montoya-Castillo
6PUBLICATIONS
8CO-AUTHORS
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Publications (6)
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|Dec 31, 2020
Excited state diabatization on the cheap using DFT: Photoinduced electron and hole transfer.Yuezhi Mao, Andrés Montoya-Castillo, Thomas E Markland
|Jul 10, 2020
On the advantages of exploiting memory in Markov state models for biomolecular dynamics.Siqin Cao, Andrés Montoya-Castillo, Wei Wang
|Nov 03, 2019
Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals.Yuezhi Mao, Andrés Montoya-Castillo, Thomas E Markland
|Aug 24, 2019
Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches.Tim J Zuehlsdorff, Andrés Montoya-Castillo, Joseph A Napoli
|Jul 01, 2019
Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics.William C Pfalzgraff, Andrés Montoya-Castillo, Aaron Kelly
|Mar 03, 2017
Approximate but accurate quantum dynamics from the Mori formalism. II. Equilibrium time correlation functions.Andrés Montoya-Castillo, David R Reichman
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