Hi!

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 crystal structure prediction

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. We use genetic algorithms (GA) combined with density functional theory (DFT) to successfully determine crystal structures of small, semi-rigid molecules.

Computational discovery of singlet fission materials

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.