Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model
Abstract
We present GPU-accelerated ab initio molecular dynamics simulations of nonadiabatic dynamics in the LH2 complex in full atomistic detail.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2017
- Source ID
- 10.1039/c7cp00492c
Entities
People
- Aaron Sisto
- Clem Stross
- David R Glowacki
- Edward G Hohenstein
- Fred R. Manby
- Graham T. Johnson
- Marc van der Kamp
- Michael O’connor
- Simon Mcintosh-smith
- Todd Martinez
Organizations
- California Institute for Quantitative Biosciences
- City College of New York
- Department of Computer Science, University of Oxford
- Engineering and Physical Sciences Research Council
- National Science Foundation
- Royal Society
- SLAC National Accelerator Laboratory
- Stanford University
- United States Army
- United States Department of Defense
- United States Department of Energy
- University of Bristol
- University of California
- University of Kentucky
- We The Curious
- Yusuf Hamied Department of Chemistry