Molecular Mechanics Simulations and Improved Tight-Binding Hamiltonians for Artificial Light Harvesting Systems: Predicting Geometric Distributions, Disorder, and Spectroscopy of Chromophores in a Protein Environment

Document Details

Document Type
Pub Defense Publication
Publication Date
Nov 20, 2018
Source ID
10.1021/acs.jpcb.8b08858

Entities

People

  • Aleksey A. Kocherzhenko
  • Daniel T. Finley
  • Donghyun Lee
  • Joonho Lee
  • K. Birgitta Whaley
  • Loren Greenman
  • Matthew B Francis

Organizations

  • Pohang University of Science and Technology
  • United States Department of Defense