Exploring light and matter interactions in materials through quantum electronic structure simulations

Our lab strives to understand and predict how does atomic and electronic structure of materials and molecules effect their optoelectronic and mechanical properties. Understanding microscopic properties of materials, will help in controlling chemical reactions on surfaces and electron transport in nanomaterials, improve optoelectronic properties of devices, and predict novel quantum materials. In the lab we will simulate materials properties, electronic transfer mechanisms, and chemical reactions on the computer. We will develop state of the art electronic
structure for predicting properties of materials, we will focus on nano-materials and 2D quantum materials.