Seixas Research Group (SRG) is a research group in computational modeling and materials simulation through first-principles methods. The group is part of MackGraphe research center, Mackenzie Presbyterian University. Led by Prof. Leandro Seixas, the group aims to develop the research area of modeling and computational simulation, discovering and characterizing novel materials for emerging technologies in nanotechnology.

2D Materials


One of the main research topics of our group is the study of fundamental physical properties of novel 2D materials, such as electronic, mechanical, magnetic, optical and vibrational properties. In particular, the electronic properties of new 2D materials are investigated in order to deeply understand quantum phenomena such as topological phases of matter, electric polarization effects and magnetic orders. From this more in-depth understanding, we can make modifications in these 2D materials to increase the stability of the material, or a desired physical property.

Energy storage and conversion


Some materials are studied in our group for potential applications in energy storage and conversion devices. These researches are focused on two applications: i) materials for hydrogen evolution reaction; ii) Li-ion battery. Especially in these research topics, the lab acts in collaboration with experimental groups.