High-throughput topological screening of nanoporous materials
Location: MSRI: Simons Auditorium
Topological data analysis
Thanks to the Materials Genome Initiative, there is now a database of millions of different classes of nanoporous materials, in particular zeolites. In this talk I will describe a computational approach to tackle high-throughput screening of this database to find the the best nano-porous materials for a given application, using a topological data analysis-based descriptor (TD) recognizing pore shapes. For methane storage and carbon capture applications, our method enables us to predict performance properties of zeolites. When some top-performing zeolites are known, TD can be used to efficiently detect other high-performing materials with high probability. We expect that this approach could easily be extended to other applications by simply adjusting one parameter: the size of the target gas molecule
If none of the options work for you, you can always buy the DVD of this lecture. The videos are sold at cost for $20USD (shipping included). Please Click Here to send an email to MSRI to purchase the DVD.
See more of our Streaming videos on our main VMath - Streaming Video page.