I’m a graduate student at Carnegie Mellon University, Pittsburgh, USA. I work on computational modeling of materials using ab-initio methods. I’m interested in:
Molecular crystals are formed by discrete molecules held together by weak van der Waal’s interactions. The aim of this project is to computationally predict the crystal structure of a molecule when it crystallizes. We use genetic algorithms (GA) combined with density functional theory (DFT) to successfully determine crystal structures of small, semi-rigid molecules.
Singlet fission (SF) is the splitting of an exciton in singlet spin state into two excitions in triplet state in a molecular crystal. SF can be used to enhance the efficiency of organic photovoltaics. The objective of this project is to find suitable candidates that can undergo fast singlet fission.
A list of publications can be found in my CV.