Coordinator: Prof. Dr. Rene Felipe Keidel Spada
Development of theoretical research in the field of Condensed Matter Physics, performing simulation of new materials with the Semiconductor and Nanotechnology Materials Group as well as in the Molecular area by investigating the electronic structure of atoms and molecules involving simulations of Molecular Dynamics with Quantum Chemistry with the Group Theoretical Studies of Electronic Structure and Reactivity (ETER).
The research carried out mainly aims to understand the structural and electronic properties of solids and nanostructures. Among the current projects, we would like to highlight: study of the properties of different two-dimensional 2D materials, study of semiconductor alloys, topological insulators and development of methodology for the study of excited states. We also work in studies of electronic and vibro-rotational spectroscopy of molecules, which are important in several areas of knowledge, such as the construction of lasers, the explanation of astrophysical phenomena, singlet fission, among others.
Research topics:
- Molecules and Molecular
- Electronic structure of molecules and molecular clusters
- Study of spectroscopy and chemical bonding of molecules
- Theoretical study of photocatalytic properties of semiconductor oxides
- Combustion thermokinetics of energetic materials
- ïClusters
- Condensed Matter
- Study of two-dimensional materials and their heterostructures
- Structural, Electronic, Thermodynamic and Magnetic Properties of Semiconductor Alloys, both two-dimensional and three-dimensional
- Theoretical study of Perovskite alloys for applications in solar cells
- Topological insulators
- LDA-1/2 method for correct prediction of the semiconductor gap
- Simulation of Materials to predict their properties with applications in optoelectronics, quantum computing, civil construction, etc.
- Electronic structure of molecules and molecular clusters
- Study of spectroscopy and chemical binding of molecules
- Theoretical study of photocatalytic properties of semiconductor oxides
- Thermokinetics of combustion of energetic materials
Permanent Professors:
- Prof. Dr. André Jorge Carvalho Chaves: Theoretical Research Aimed at Understanding the Structural and Electronic Properties of Solids and Nanostructures, Development of Methodology for the Study of Excited States.
- Prof. Dr. Francisco Bolivar Correto Machado: Calculations of Molecular Electronic Structure.
- Prof. Dr. Ivan Guilhon Mitoso Rocha: Density Functional Theory, and Many-Body Disturbance Theory in Condensed Matter.
- Prof. Dra. Lara Kuhl Teles: Theoretical research aimed at understanding the structural and electronic properties of solids and nanostructures. Development of methodology for the study of excited states.
- Prof. Dr. Luiz Fernando de Araújo Ferrão : Calculations of Molecular Electronic Structure.
- Prof. Dr. Marcelo Marques: Theoretical research aimed at understanding the structural and electronic properties of solids and nanostructures. Development of methodology for the study of excited states.
- Prof. Dr. Renê Felipe Keidel Spada: Molecular Dynamics and Astrochemistry.