Design of Porous Crystals for Applications in Energy & Chemical Industry

EIRES Lunch lecture

Friday September 17, 2021 from 12:00 PM to 1:00 PM
Online | MS Teams


EIRES - Eindhoven Institute for Renewable Energy Systems kindly invites you to join the 17th EIRES Lunch lecture.

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Friday 17 September 2021

12h00 - 13h00 CET

Design of Porous Crystals for Applications in Energy & Chemical Industry

We use Molecular Simulation for the study and rational design of multifunctional porous materials with applications in energy and in the chemical industry.  Our computational approach provides adsorptive processes designs ranging from atomistic scale to continuum scale. In this presentation I show our long-term research strategy to design and 'invent' processes based on crystalline porous materials (zeolites and Metal Organic Frameworks) that can be used for pore mouth catalysis, Fischer Tropsch, ammonia production, green hydrogen technologies, chiral separations and also to improve the Syngas industry efficiency.

Silvia Gaastra-Nedea and Henk Huinink - principal scientists EIRES | Focus Area - Systems for Sustainable Energy Heat

Prof. Sofia Calero | TU/e - Department of Applied Physics

Sofia Calero leads the Materials Simulation & Modelling group in the Department of Applied Physics at Eindhoven University of Technology (TU/e). The group focuses on application of simulation for renewable energies and energy efficiency, and on the development of force fields, algorithms and simulation methods to reverse engineer the properties of materials.   One of the hallmarks of Calero's research is bridging the gap between computational physics-chemistry and industry. An important part of her research activity is carried out in close collaboration with large and small industries that benefit from the knowledge and scientific transfers that her group develops. Together, using advanced simulation techniques, they are successfully unraveling many mechanisms involving multifunctional nanostructured materials.   Calero is a prolific author, editor and organizer, and one of the originators of the software RASPA (molecular simulation software for adsorption and diffusion in flexible nanoporous materials) and iRASPA (GPU-accelated visualisation software for materials scientists).

Online MS Teams

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Target audience
EIRES Lunch lectures are open for anyone interested in the latest developments in energy storage and conversion. Different keynote speakers from academia and industry will present their views, solutions and outlooks on the topic. The lectures leave plenty of room for discussion. We value your input. Looking forward meeting you!

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Eindhoven Institute for Renewable Energy Systems