Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential

HIGHLIGHTS

• who: Simon Axelrod from the Harvard University have published the Article: Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential, in the Journal: NATURE COMMUNICATIONS NATURE COMMUNICATIONS
• what: To develop a transferable potential the authors focus on molecules from the same chemical family, studying derivatives of azobenzene, a prototypical photoswitch. It became clear early on that only 165 and 169 had high yields, and so the authors focused on those molecules thereafter. The authors show below that that this significant increase has an intuitive physical explanation.
•  

  

  If you want to have access to all the content you need to log in!

  Thanks :)

  Username or E-mail:

  If you don't have an account, you can create one here.