Sahar Sharifzadeh

Computational Design of Organic Semiconductors

PROJECT DESCRIPTION
The REU research project is aimed at computational modeling of material properties within semiconductor, with the ultimate goal of designing new electronic materials. In particular, we will utilize first-principles density functional theory (DFT) to explore the electronic properties of organic materials (i.e. solids composed of organic molecule aggregates). These materials are currently being pursued as components in molecular electronics, thermoelectrics, and solar cells. In collaboration with experimentalists who synthesize such wires, we will understand how changing molecular chemistry and aggregate arrangement will modify material functionality, and provide molecular design rules to guide synthesis of improved materials.

LEARNING GOALS

• Learn to think critically about materials problems
  
• Relate an undergraduate knowledge of physics and chemistry to engineering
  
• Learn to run state-of-the-art first-principles simulations
  
• Qualitatively understand the physics of semiconductor devices

Learn more about Professor Sharifzadeh’s work on her lab website.