Teaching interest in:
Computation Simulation Methods
Active Organic Technologies
I believe in a thorough understanding of the undergraduate-level knowledge as the foundation for the future research of the young chemists. I would be very interested in teaching General Chemistry, Physical Chemistry, Inorganic Chemistry and Thermal Dynamics.
Computer simulation methods. This would involve studying Quantum Calculation, Molecular Dynamics, Kinetic Monte Carlo and Coarse Grain Dynamics methods with applications in chemistry, physics, chemical engineering and materials science. 1. Quantum simulations. Path integral Monte Carlo. Transition state searching. Reaction kinetic calculation based on QM information. 2. Molecular Dynamics: Integrating schemes (Verlet algorithm, predictor-corrector methods) for the microcanonical ensemble, periodic boundary conditions. Constant temperature and constant chemical potential simulations. Simulations of argon and a simple dipolar fluid. Simulation of a simple point charge (SPC) model for water. Calculations of ion solvation energy and dynamics. 3. Monte Carlo Simulations. Importance Sampling and the Metropolis method. Non-Boltzmann or Umbrella sampling. Ising model simulations. The Gibbs ensemble method for simulating phase equilibria. Simulation of vapor -liquid equilibria for a simple (Lennard-Jones) fluid. 4. Coarse Grain Dynamics. Simulation of a simple polymer system by bead model.
Nanostructured materials. This would involve introducing the properties of nano-structured materials that has been making a silent revolution in the last decade. The common ground here is that the building blocks of these materials, be it metal, ceramic or polymers, are nanometer size particles (and hence the name nanostructured materials). It is realized that the properties of materials can be engineered by controlling the sizes of these building blocks in the 1-100 nm size range and their assembly. The emphasis in this course is to introduce students to the science of the building blocks of nanostructured materials, their chemical and structural characterization, material behavior, and the technological implications of these materials. Special attention is devoted to presenting new developments in this field and future perspectives.
Active organic technology. This would introduce the optical and electronic processes in organic molecules and polymers that govern the behavior of practical organic optoelectronic devices. Emphasis is placed on the use of organic thin films in active organic devices including organic LEDs, solar cells, photodetectors, transistors, chemical sensors, and memory cells. How to reach the ultimate miniaturization limit of molecular electronics and related nanoscale patterning techniques of organic materials will also be discussed.
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Last updated on Nov. 4, 2004