MIT Department of Chemistry
Cambridge, MA 02139
mit.edu email: akohn
Year joined: 2013
|2013||BS in Chemistry||Harvey Mudd College||Advisor: Katherine van Heuvelen|
The quantum yield of a compound determines the likelihood of light being absorbed or emitted. For certain processes, a higher or lower quantum yield is desirable. By using electronic structure theory, we can examine the energetics of the process and predict quantum yields. I'm looking to apply this for organic semiconductors.
Our group has previously implemented gradients for CDFT-CI, however they were very computationally expensive. I'm trying to make them faster.