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Talat Rahman

UCF Pegasus Professor

University of Central Florida

Talat S. Rahman, PhD, Department of Physics at the University of Central Florida. Co-leader, UCF Faculty Cluster on Rational Design of Catalysts for Energy Applications 2012 - Pegasus Professor, University of Central Florida

Research Program in the Modeling of Complex Materials

Talat’s research is focused on theoretical and computational modeling of materials with particular interest in understanding mechanisms that control epitaxial growth and morphological evolution, friction and adhesion, and chemical reactivity of nanostructured surfaces and nanoparticles. Very recently she and her team have also ventured into developing the tools for understanding and modeling the properties of such biomaterials as peptides and proteins. The importance of this field is both technological (thin-film growth, nanotechnology for drug delivery, novel materials, catalysis, corrosion, lubrication, etc.) and fundamental. It raises questions about the nature of the bonding between atoms and molecules in regions of low symmetry and complex local environment and of how this bonding is affected by the electronic structure, microscopic geometry, atomic coordination and elemental characteristics of the atoms and molecules comprising various systems. In addressing these and related questions about the electronic structure, a distinct and important aspect of our work is also to probe the temperature dependencies of the properties, as accurately as feasible, so as to understand the behavior in laboratory environments. To achieve this the team has a goal to develop the framework for multi-scale modeling of materials in which comprehensive understanding developed at the atomic scale provides input parameters and physical insights for further examination of systems at larger length- and time-scale (in the mesoscopic range). Such studies have considerable predictive power and are expected provide the knowledge base necessary for tailoring functional materials by design.

Research Interests:

Multi-scale modeling of chemical reactions and related phenomena at surfaces

  • Understanding processes that control growth and morphological evolution of thin films
  • Theory and modeling of vibrational, optical and magnetic properties of nanomaterials
  • Predictive modeling of functional two-dimensional transition metal dichalcogenides
  • Surface coordination chemistry: novel functionality via substrate charge transfer and oxidation state
  • Understanding the response of surfaces and nanostructures to ultrafast external fields
  • Development of techniques beyond density functional theory for strongly correlated material
  • Development of techniques suitable for non-equilibrium phenomena and non-adiabatic processes