sharc icon indicating copy to clipboard operation
sharc copied to clipboard

Published 20 hours ago • verified publisher icon sharc-md

Using SHARC trajectory surface hopping methodology for large molecules

Open Pallus19 opened this issue 1 year ago • 6 comments

Hello, I have seen literature regarding the implementation of SHARC surface hopping simulations to describe ISC dynamics of nucleobases and small molecules. Can the methodology be applied to describe the decay pathways of large molecules with, say, 50 to 100 atoms or more?

Pallus19 avatar Sep 17 '23 05:09 Pallus19