From electronic coupling to machine learning

Chao-Ping (Cherri) Hsu
Institute of Chemistry, Academia Sinica, Nankang, Taipei, Taiwan
Vendredi 23 iAoût 2019, 11h00
bibliothèque LCT, tour 12 - 13, 4^ème étage

Electronic coupling is a crucial factor to determine the rates of many processes such as electron transfer and energy transfer. A good understanding for such a factor would facilitate the search for new molecular materials. In this talk I'll aim to share what we learned recently through the characterization of singlet fission couplings, where a strategy to enhance the singlet fission coupling was proposed. I'll also talk about our initial attempts in building machine learning for electronic couplings.