17 citations · 23 across the 5 of their papers we have counts for
5 papers
Nonequilibrium relaxation exponentially delays the onset of quantum diffusion
Srijan Bhattacharyya, Thomas Sayer, Andrés Montoya-Castillo
Predicting the exact many-body quantum dynamics of polarons in materials with strong carrier-phonon interactions presents a fundamental challenge, often necessitating one to adopt…
A pedagogical tour of the Fourier transform with applications to NMR and IR spectroscopy
Anthony J. Dominic, Nicholas L. Cipolla, William C. Pfalzgraff +3
The Fourier Transform (FT) is a fundamental tool that permeates modern science and technology. While chemistry undergraduates encounter the FT as early as second year, their course…
Beyond the Condon limit: Condensed phase optical spectra from atomistic simulations
Zachary Wiethorn, Kye Hunter, Tim Zuehlsdorff +1
While dark transitions made bright by molecular motions determine the optoelectronic properties of many materials, simulating such non-Condon effects in condensed-phase spectroscop…
Elucidating the role of hydrogen bonding in the optical spectroscopy of the solvated green fluorescent protein chromophore: using machine learning to establish the importance of high-level electronic structure
Michael S. Chen, Yuezhi Mao, Andrew Snider +5
Hydrogen bonding interactions with chromophores in chemical and biological environments play a key role in determining their electronic absorption and relaxation processes, which a…
Path integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths
Andrés Montoya-Castillo, David R. Reichman
We derive a semi-analytical form for the Wigner transform for the canonical density operator of a discrete system coupled to a harmonic bath based on the path integral expansion of…