Faculty from the Materials Modeling research cluster (MMRC) collaborate with colleagues from chemistry, engineering, materials science and other disciplines to develop and apply advanced modeling and simulation techniques in order to improve the design and performance of new and existing biological and man-made materials. Human tissue, jet engine metals and greenhouse gases are examples of materials studied under various conditions, which are sometimes extreme, such as temperature, oxidation and environmental stress. Computational modeling can yield accurate, fast predictions with a significant savings in time and costs compared to traditional laboratory methods of developing new materials and processes. Cutting-edge technology coupled with expertise from leading experimental researchers positions MMRC to lead the field in fully integrated, multi-scale modeling research and to expedite solutions for the technological challenges that face our country and global society.

Current MMRC faculty and researchers have specializations in integrated computational chemical/materials engineering, multiphysics modeling, condensed matter theory and fluid/particle dynamics, as well as atomistic, mesoscale and continuum level modeling of advanced materials, alloys, industrial and defense systems, catalysis, alternate energy, and chemical, physical and biological systems. Faculty bring additional funding from the National Science Foundation, Department of Energy, Welch Foundation, Air Force Research Laboratory, and other private and industrial sponsors, and participate in grants totaling $30 million. Affiliated national centers include an NSF Chemical Bonding Center and a DOE Energy Frontier Research Center. UNT also is the home of TALON, a new high-performance computing facility, and the Center for Advanced Scientific Computing and Modeling (CASCaM), an interdisciplinary center of excellence in advanced scientific computing and modeling with its own dedicated facility.


Latest News

MMRC Looking for New Hire - November, 2010
The MMRC at UNT is currently hiring a senior (Assoc. or Full) level faculty member in Materials Modeling. Please view the PDF or follow the link to the position application page: http://facultyjobs.unt.edu/hr

C&E News: Two's A Charm For Nickel Complexnickel
Dr. Cundari's paper, "A Two-Coordinate Nickel Imido Complex That Effects C−H Amination," is featured in an article by Chemical & Engineering News, titled: "Two's A Charm For Nickel Complex."

A quote from the article: “This piece of work illustrates a new way to effect the catalytic synthesis of organonitrogen compounds,” says Christopher C. Cummins of Massachusetts Institute of Technology, whose group focuses on using large ligands to make low-coordinate complexes. “The two-coordinate nickel imido catalyst itself represents a breakthrough in the chemistry of nickel,” Cummins adds, “and the simplicity of the transfer reaction system renders it amenable to a high degree of mechanistic analysis.”

MMRC Members Take Spotlight in Latest Volume of UNT Research - 2010
The 2010 edition of the UNT Deapartment for Research and Economic Development's magazine, titled UNT Research , focused on the collaborative work of MMRC and highlighted many of our members.

  • Studying Aircraft Fatigue: The collaborative efforts of the Center for Advanced Scientific Computing and Modeling (CASCaM) and the Center for Advanced Research and Technology (CART).
  • Awards: Dr. Srvilliputhur is mentioned for his NSF CAREER Award and Dr. Borden is mentioned for his award as an inaugural fellow of the American Chemical Society.
  • News Briefs: Dr. Wilson is mentioned for her Teacher Scholar Award and Dr. Du is mentioned for his research on bioactive glass.
  • Faculty Researchers: Dr. Zhiqiang is featured for his research as a computational materials scientist.

MMRC Welcomes New Hire - January 2010
UNT would like to welcome Dr. Zhiqiang Wang to the cluster. Dr. Wang is an expert at mesoscale modeling.