84 citations · 502 across the 30 of their papers we have counts for
6 papers · 1 filter
UGME: A python package for non-Markovian protein folding dynamics
Anthony J. Dominic, Bertram Cham, Andrés Montoya-Castillo
Biomolecular processes, including protein folding, protein-protein association, and protein-DNA recognition, often occur on timescales beyond what individual atomistic molecular dy…
Short-lived memory in multidimensional spectra encodes full signal evolution
Thomas Sayer, Ethan H. Fink, Zachary R. Wiethorn +9
Ultrafast multidimensional spectroscopies are powerful tools that can access charge and energy flow in complex materials, shifting chemical kinetics, and even many-body interaction…
For molecular polaritons, disorder and phonon timescales control the activation of dark states in the thermodynamic limit
Tianchu Li, Pranay Venkatesh, Qiang Shi +1
Collective light-matter systems host an extensive manifold of dark states whose role in the emergence of thermodynamic behavior remains poorly understood, especially in the presenc…
How to improve the accuracy of semiclassical and quasiclassical dynamics with and without generalized quantum master equations
Matthew R. Laskowski, Srijan Bhattacharyya, Andrés Montoya-Castillo
Semi- and quasi-classical (SC) theories can handle arbitrary interatomic interactions and are thus well-suited to predict quantum dynamics in condensed phases that encode energy an…
Data-driven, non-Markovian modelling of weather in the presence of non-stationary, non-Gaussian, and heteroskedastic climate dynamics
Thomas Sayer, Andrés Montoya-Castillo
While the generalized Langevin equation (GLE) is a powerful tool to understand the behavior of complex dissipative systems, driving by external fields renders standard GLE construc…
Charge Hopping Dynamics along a Disordered Chain in Quantum Environments: Comparative Study of Different Rate Kernels
Seogjoo J. Jang, Andres Montoya-Castillo
This work presents a computational study of charge hopping dynamics along a one dimensional chain with Gaussian site energy disorder and linearly coupled quantum bath. Time depende…