Welcome to 

Computational Quantum Materials Group 

@WVU Physics


      We are a group of computational/theoretical condensed matter physicists, who try to understand the behavior of electrons in different classes of quantum materials like high-temperature superconductors, topological insulators, multi-ferroelectrics, and various two-dimensional materials by predicting their electronic, magnetic, optical, and structural properties.  We are located at the Department of Physics & Astronomy at West Virginia University. 

Our research is mostly based on the first principles approaches using high-performance computations. To capture the physics of a wide range of phenomena and materials, we use various theories and computations ranging from  GW to the dynamical mean-field theory (DMFT).  We are mainly interested in the methodologies that go beyond the limit of conventional density functional theory (DFT) to study strongly correlated materials from first principles. We are also building a database for correlated materials using various beyond-DFT methods hosted at NIST and could be found here. 

(This page is under construction)