226 citations · 314 across the 4 of their papers we have counts for
4 papers
Path integral Monte Carlo with importance sampling for excitons interacting with an arbitrary phonon bath
Sangwoo Shim, Alán Aspuru-Guzik
The reduced density matrix of excitons coupled to a phonon bath at a finite temperature is studied using the path integral Monte Carlo method. Appropriate choices of estimators and…
Atomistic study of the long-lived quantum coherences in the Fenna-Matthews-Olson complex
Sangwoo Shim, Patrick Rebentrost, Stéphanie Valleau +1
A remarkable amount of theoretical research has been carried out to elucidate the physical origins of the recently observed long-lived quantum coherence in the electronic energy tr…
Characterization and quantification of the role of coherence in ultrafast quantum biological experiments using quantum master equations, atomistic simulations, and quantum process tomography
Patrick Rebentrost, Sangwoo Shim, Joel Yuen-Zhou +1
Long-lived electronic coherences in various photosynthetic complexes at cryogenic and room temperature have generated vigorous efforts both in theory and experiment to understand t…
First-Principles Semiclassical Initial Value Representation Molecular Dynamics
Michele Ceotto, Sule Atahan, Sangwoo Shim +2
A method for carrying out semiclassical initial value representation calculations using first-principles molecular dynamics (FP-SC-IVR) is presented. This method can extract the fu…