Ab initio nonadiabatic dynamics of multichromophore complexes: a scalable graphical-processing-unit-accelerated exciton framework.

@article{Sisto2014AbIN,
  title={Ab initio nonadiabatic dynamics of multichromophore complexes: a scalable graphical-processing-unit-accelerated exciton framework.},
  author={Aaron Sisto and David R. Glowacki and Todd J. Mart{\'i}nez},
  journal={Accounts of chemical research},
  year={2014},
  volume={47 9},
  pages={
          2857-66
        }
}
Conspectus Although advances in computer hardware and algorithms tuned for novel computer architectures are leading to significant increases in the size and time scale for molecular simulations, it remains true that new methods and algorithms will be needed to address some of the problems in complex chemical systems, such as electrochemistry, excitation energy transport, proton transport, and condensed phase reactivity. Ideally, these new methods would exploit the strengths of emerging… CONTINUE READING

Citations

Publications citing this paper.
SHOWING 1-10 OF 15 CITATIONS

Photosynthetic pigment-protein complexes as highly connected networks: implications for robust energy transport.

  • Proceedings. Mathematical, physical, and engineering sciences
  • 2017
VIEW 3 EXCERPTS
CITES BACKGROUND & METHODS

References

Publications referenced by this paper.
SHOWING 1-10 OF 55 REFERENCES