Research team


I am a computational condensed matter and material science expert. I have more than 15 years of extensive experience in the characterization of electronic, optical, thermal, thermoelectric, piezoelectric, ferroelectric, energy storage, and superconducting properties of materials (in particular two-dimensional) with methods based on mostly Density Functional Theory and Classical/First-Principles Molecular Dynamics Simulations. The projects regarding the search for novel two-dimensional crystals to be used in energy generation/conversion, sensor, and ion-battery applications particularly attract my research interest. I have developed more than 12 research projects (as a PI). I have also contributed to a long-term project on the growth and characterization of novel two-dimensional materials such as MoS2, MoSe2, WS2, and Mo2C. Therefore, I have gained extensive experience in Chemical Vapor Deposition growth of materials and their layer-by-layer characterization by RAMAN and PL tools. Currently, I am also working on the development of Machine Learnin-based potential for Materials Simulation applications. I have experience in computational tool development (Fortran, C++, Python) and the operation of simulation tools on HPC systems. Please see my Google Scholar Page: