Current Research Interests

Our interests span several areas of research ranging from combustion of complex systems that has an overlap with chemical engineering, to solvation phenomena with a particular focus in biological problems, to zeolite catalysis that has a component in material science and finally to solid-liquid and solid-gas interfacial properties that are important to environmental chemistry. Development of a Grid enabled cyber-infrastructure for research, collaboration, and education in computational science and engineering.
  • Combustion: To model kinetics, thermodynamics and mechanisms of combustion of hydrocarbon fuels, and of coal gasification.
  • Condensed-phase Biological Systems: To develope methodology for simulations biological systems in solutions. Particular interest is to predict thermochemistry of solvation, namely free energy, enthalpy and entropy of solvation, and reaction rates in solution.
  • Oxide-supported meld nano-cluster catalysis: To study the electronic structure, catalytic activity of nano-metal clusters on metal oxide surfaces.
  • Computational Science and Engineering Online(CSEO): To develop of a Grid enabled cyber-infrastructure for research, collaboration, and education in computational science and engineering. Facilitates multi-disciplinary research on multi-scale complex problems and promotes collaboration across disciplines. It promises to revolutionize the way we do research in scientific computing. CSEO can be accessed at http://cseo.net