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Computation and Molecular Engineering

We integrate advanced theoretical and computational tools to address critical challenges in chemical and environmental engineering. This field enables the design and optimization of chemical and biochemical processes, the fabrication of multifunctional nanostructured materials, the formulation of efficient therapeutic agents, the production of renewable fuels, the development of intelligent biosensors, and the improvement of water and air quality.

Current Research Interests:

  • Energy Storage - Advancing materials and systems for high-performance batteries and sustainable energy solutions.
  • Electrocatalysis - Designing catalysts for efficient energy conversion and chemical transformations.
  • Gas Adsorption - Developing materials for gas separation, storage, and environmental remediation.
  • Chemicals and Materials by Design - Leveraging computational tools to predict and engineer novel compounds and functional materials.
  • Materials under extreme conditions - Reactive and structural response to rapid thermal inputs for application to advanced energy generation
  • Synthetic Biology - Design regulatory genetic parts, proteins, sensors, and metabolic networks & pathways to develop sustainable biotechnologies for energy, health, and environmental applications.

Meet Our Faculty