Research
We have interest to develop and apply Computational Chemistry Techniques such as: First
Principles and DFT methods, Molecular Dynamics, Quantum Theory of Atoms in Molecules,
Non-Equilibrium MD and Computational Fluid Dynamics. Computer simulation can be applied
to investigate structural, dynamics, thermodynamics, electronic properties of ATOMS, MOLECULES,
LIQUIDS and SOLIDS.
Currently, we are focused to study problems related to clean technology and energy conversion,
such as gas capture and separation, lubricants for drilling fluids, and ionic liquids polymer
electrolytes. We also have interest to understand the thermodynamics of ionic liquids and their
mixtures and applications of Raman spectroscopy to characterize materials in general.
