Gustavo Seabra
Post doctoral associate

Quantum Theory Project
Department of Chemistry
University of Florida

VOICE: (352) 392-0970

EMAIL: [my last name] _at_ qtp.ufl.edu

click here to see my CV

Who am I?

My current work as a post-doctoral associate in the Roitberg group involves development and application of hybrid quantum mechanics / molecular mechanics (QM/MM) methodology for the study of biologically relevant systems too large to be treated purely quantum mechanically, but involving processes that cannot be treated adequately with classical methods.

The solution is to split the system into two regions: The first, including the atoms involved in the process of interest, which is to be treated by quantum-mechanical methods. The remaining of the system (second region) is treated by classical mechanics, and couples to the first part through a QM/MM coupling Hamiltonian accounting for environment effects on the process.

Past
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I got my B.Sc. and M.Sc. degrees in Brazil, from the "Universidade Federal de Pernambuco" (Federal University of Pernambuco, Recife, PE, Brazil. My M.Sc. studies were focused on the generation of quantum-mechanics based force fields for molecular dynamics simulations of ionic liquids, under the supervision of Prof. Ricardo Luís Longo.

After that I moved to Manhattan, KS, USA, where I got my Ph.D. degree in Theoretical Physical chemistry under the supervision of Prof. J. V. Ortiz (now Ruth W. Molette Professor and department chairman of the Department of Chemistry and Biochemistry at Auburn University, Alabama)
on the development and application of methods for the calculation of photoionization intensities based on Electron Propagator theory.