Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

5 years ago

Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

Clem Stross, Edward G. Hohenstein, David R. Glowacki, Graham T. Johnson, Michael O'Connor, Fred R. Manby, Simon McIntosh-Smith, Marc W. van der Kamp, Aaron Sisto, Todd J. Martinez

We present GPU-accelerated ab initio molecular dynamics simulations of nonadiabatic dynamics in the LH2 complex in full atomistic detail.

Publisher URL: http://feeds.rsc.org/~r/rss/CP/~3/IDnS20f4JIY/C7CP00492C

DOI: 2017/CP/C7CP00492C

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