SEMINAR – Computational Nanoscience: Energy Materials & Nanofluidics Sensors Design
We are delighted to welcome Professor Caetano Rodrigues Miranda, from University of São Paulo as our speaker for our Summer Term Seminar.
Recent advances in nanostructured materials have opened a wide range of new multifunctional materials with promising potential for the development of more efficient energy materials. Furthermore, the unusual physical properties of confined fluids at nanoscale can play an important role in a plethora of chemical, geochemical and environmental processes.
Multiscale computational nanoscience has been applied to understand the fundamental processes, search and design optimal nanostructured systems for energy materials and nanofluidics sensors applications. By using an integrated bottom-up multiscale computational approach ranging from quantum mechanics calculations, molecular dynamics and Lattice Boltzmann modeling, we have been able to systematically model and characterize the energy materials at nanoscale.
In his talk, Professor Rodrigues Miranda will summarize some of the activities at the group at IFUSP to design energy materials for storage and conversion (oil recovery, ethanol catalysis, batteries and solar fuels photocatalyst processes). Additionally, they also introduce a top-down multiscale scheme by combining molecular dynamics simulations (MD) with first principles electronic transport calculations. The potential of this technique was demonstrated by investigating how the water and ionic flow through carbon nanotubes (CNT) influences the overall electronic transport properties for potential design of novel nanofluidic sensing design.
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