Research interests
All publications are available here.

General Theme
Our research involves the application of appropriate theoretical and computational techniques to understand materials systems of significant experimental interest. This work involves prediction of new phenomena, explanation of existing data and collaborations with experimentalists on contemporaneous experiments. It encompasses a variety of thin film and bulk materials from metals to semiconductors, crystalline to disordered materials, and nano- to micro- length scales. Varied theoretical techniques are utilized such as density functional theory (DFT) based computations, classical molecular dynamics, Monte Carlo simulations, and continuum analytical equations.
Other phenomena involving large scale statistical information of general physical systems is another interest. Techniques such as analytical solutions to linear and non-linear deterministic, stochastic and differential equations with noise, equations of elasticity, numerical solutions to algebraic equations are used for this purpose.

Funding Sources
Funding for our group comes from variety of sources including Department of Energy, DARPA, Air Force, NSF, State of Ohio and University of Toledo.

Over a dozen Ph.D. students, 16 M.S. students and 6 undergraduates have worked on research projects and graduated on to pursue lucrative careers.

Ceramics Database Repository

We have develpoed a community-based, interactive database of crystalline inorganic materials for high performance coating applications, funded through the US federal government's Materials Genome Initiative ( and the National Science Foundation's grant on "Designing Materials to Revolutionize and Engineer our Future". Estimates of available data in the scientific literature for structural, elastic, mechanical and electronic properties of solids related to coatings applications maybe conservatively placed in the 100,000 range. To make full use of this vast computational knowledge, this platform, an open-access community-based ceramics database with an emphasis on high performance coatings had been created.

Our database handles large amounts of data with features of data selection tools and rapid search capabilities. It has active display features for generating a variety of formats of tables and graphs. Users can choose fields to query corresponding to their computed or experimentally measured properties of interest in a web-based user-friendly form. The resulting data can be brought in to a table format of one's choice and downloaded for further manipulation. Figures with graphs are also automatically displayed on demand to generate a visual representation of the dataset of choice. All entries are linked to the original papers on the web with full citation information through DOI or other identifiers. Participation and contribution from the coatings community is sought, encouraged and welcomed. The database is presently already populated with data from a few hundred materials and is expected to grow through the community's contributions. Being community-based, users can become contributors, with the privilege to add/edit/delete entries from their own contributions. The names and contact information of the contributors are displayed as an appreciation for their efforts, and also as a means to enhance peer reviewing. We sincerely hope this platform can attract the community's attention, usage and contribution, and fulfill its purpose to serve as an active and essential data hub in the field of coatings science and technology.


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