THE UNDERSTANDING OF PHYSICAL AND CHEMICAL PROCESSES at the molecular level, the investigation of properties and behavior of biological compounds and the design of novel materials by using tools of Computational Physics and Chemistry.

Research Interests

Details of my investigation are briefly described below. I remark their importance for the scientific community and society, pointing out possible future projects. Pictures and animations are presented whenever possible. Click the read more links on each topic to display more details.

Density Functional Theory (DFT)
In the last decade the development and application of quantum mechanical methods has called great attention in science due to their capacity to explain physical and chemical phenomena at the microscopic level with a high degree of accuracy. Density Functional Theory is one of the latest methods characterized as a universal approach and used to study different types of systems such as molecules, polymers and extended systems (i.e. slabs, crystals, etc.). [Read more]

Characterization of DNA at the Quantum Mechanical Level
One of the most important molecules in Molecular Biology is DNA (acronym of DeoxyriboNucleic Acid). The Genome Project has achieved the complete sequence of nucleic acid bases that build the human DNA. In this enterprise it becomes of paramount importance to identifiy the DNA portions (genes) that code genetic information (in a similar way as a Morse code encrypts words and sentences) and understand the interaction of DNA with other compounds that make possible life support. [Read more]

New Catalytic Materials: Hydrocarbon-Zeolite Reactions
The conversion of hydrocarbons into useful products (like gasoline, diesel, etc.) represents a key aspect in the petrochemical industry. In general, the transformation process involves several mechanisms with the simultaneous control of many physical variables. In order to optimize the transformation of raw compounds and obtain the best quality products it is necessary to have a deep knowledge of the conversion process. [Read more]

Nano Clusters
The properties of macrosystems are the outcome of the microscopic interactions among atoms. Therefore, it becomes imperative to understand the microscopic state of matter to explain the stability, physical, chemical and thermodynamic features of different systems like crystals, alloys and ceramics. Our investigation is focused in analyzing the processes of early formation and behavior of crystals with the use of atomic clusters. [Read more]