The Quantum Theory of Nanomaterials Group (QTNano) is located at the University of São Paulo, Institute of Chemistry of São Carlos, São Carlos, Brazil. The QTNano leader is Prof. Dr. Juarez L. F. Da Silva. The group is also a member of the Center for Innovation in New Energies. The focus of QTNano group research is the study of metallic surfaces, molecular adsorption, oxides, semiconductors, clusters, and nanoparticles. The main goal of the research is the utilization of ab initio methods based on Density Functional Theory (DFT) for application in the conversion of methane and carbon dioxide to new products, and to study new materials for photovoltaic energy conversion. Alongside this, the QTNano group also performs research in the energy storage area, in particular, in the study of electrolytes and electrode materials for sodium-ion batteries, lithium-air batteries, and supercapacitors seeking large-scale applications using molecular dynamics simulations. The group also has interested in the utilization of machine-learning techniques for applications in the study of new materials based on quantum chemistry results and in the development of improved force fields for molecular dynamics simulations.
Instituto de Química de São Carlos
Universidade de São Paulo, Campus São Carlos
Av. Trab. São Carlense, 400 - Parque Arnold Schimidt
13566-590 - São Carlos - SP
Instituto de Química de São Carlos
Universidade de São Paulo, Campus São Carlos
Av. Trab. São Carlense, 400 - Parque Arnold Schimidt
13566-590 - São Carlos - SP