Computational Nanoscience: Energy Materials and Nanofluidics Sensors Design
On 22 May the Sustainable Gas Institute, Energy Futures Lab and the Department of Chemical Engineering host a seminar from Professor Caetano Rodrigues Miranda of the the Department of Mechanics and Materials Physics, Institute of Physics at University of Sao Paulo.
Abstract
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.
Biography
Caetano Rodrigues Miranda (CNPq Excellence in research – 1D) Graduated with a BS in Applied Physics from State University of Campinas (UNICAMP) in 1996. He earned a Master in Physics (1999) and Doctor of Science (2003) also from Unicamp with sandwich period at the University of Cambridge (UK).
He was a Research Associate at The UNESCO Centre of Abdus Salam International Theoretical Physics (ICTP) in Trieste (Italy – 2003 – 2005) and Post-Doc fellow at Massachusetts Institute of Technology (MIT) (2005- 2007) in the area of nanotechnology and energy resources.
Between 2007 and 2009, Prof. Miranda occupied the special JAPEX chair as Assistant Professor at Kyoto University (Japan). From 2009 to 2015, he was Assistant Professor on Computational Materials Science in the Federal University of ABC (UFABC). Since 2015, he moved as Professor Doctor in the Institute of Physics in the University of São Paulo (USP).
He has experience in Condensed Matter Physics and Materials Science, working mainly in the area of Computer Simulation of Materials, applied to energy and environmental issues: renewable energy (hydrogen, fuel cells, batteries and solar fuels), Nanotechnology for the oil industry and construction materials, techniques Computational Physics and Materials under extreme conditions.
Venue
Lecture Theatre 2 in the Department of Chemical Engineering is in building 14 on the campus map.
The quickest way there is to enter the college from the main entrance on Exhibition Road (near building 36). Head through the building, across the large courtyard and along the long walkway past a bank of very large screens on your right hand side. The entrance to the Chemical Engineering Department is on your right, head through the automatic doors up two short flights of stairs and the room is just to your right.