• Binary tunnel

Our team of scientists uses computational and theoretical methodologies to understand and address fundamental problems in materials science and engineering. Collectively, we have a broad spectrum of research interests with myriad applications. We use our understanding to design advanced materials that impact the way we live, including functional materials, smart materials, aerospace, nanostructured materials and materials for energy efficiency.


Research Topics


  • Development of New Aluminum Alloys
    “Our group working with Collins Aerospace develops new Aluminum Alloys.” Research highlighted by ASM International.
    Posted on April 27, 2020
  • Thomas and Sanjeev Published in Physical Review B!
    This research is a uniquely rigorous and systematic study of the effect of exchange-correlation functionals (XCFs) (in the framework of density functional theory) on the outcome of geometric and electronic structure calculations in layered binary chalcogenide (A2B3) systems.
    Posted on March 28, 2020
  • Congrats! Ayana and Dennis Earn Top Distinction in Scientific Reports
    Ayana Ghosh's and Dennis Trujillo's article,  Electronic and Magnetic Properties of Lanthanum and Strontium Doped Bismuth Ferrite: A First-Principles Study, received 2,603 article downloads in 2019, placing it as one of the top 100 downloaded physics papers for Scientific Reports in 2019.
    Posted on March 9, 2020
  • Kevin, Sanjubala and Colleagues Published in Clays and Clay Minerals
    DFT was used to determine counter-hydrogen ion retention strength in Montmorillonite clays, a common aluminosilicate mineral found in soil, as a measure of cation adsorption strength. Results show that impurity Mg-Fe separation distance is responsible for three possible adsorption strengths regimes and are consistent with experimental data.
    Posted on March 9, 2020