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SUMMARY:Capturing and Carbon and Chemical Intuition: the nanoporous materi
 als genome in Action
DTSTART:20200306T151500
DTEND:20200306T161500
DTSTAMP:20260428T054043Z
UID:89756c5c98c657ee5f5848a8b80c94cdc326997b35bc4b6a3f36267a
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof Berend SMIT Chemical Engineering at the School of Basic S
 ciences\, EPFL\nAt present Metal Organic Frameworks (MOFs) are one of the 
 most studies materials in Chemistry. One of the attractive feature of Meta
 l Organic Frameworks\n(MOFs) is that by changing the ligand and/or metal\,
  they can be chemically tuned to perform optimally for a given application
 . This unique chemical tunability allows us to tailor-make materials that 
 are optimal for a given application. However\, the promise of finding just
  the right material seems remote however: because of practical limitations
  we can only ever synthesize\, characterize\, and test a tiny fraction of 
 all possible materials. To take full advantage of this development\, there
 fore\, we need to develop alternative techniques\, collectively referred t
 o as Materials Genomics\, to rapidly screen large numbers\nof materials an
 d obtain fundamental insights into the chemical nature of the ideal materi
 al for a given application. These computational materials genomics initiat
 ives have been so successful that we have created a new problem: what to d
 o with so much data? In this presentation we will discuss different comput
 ational strategies to deal with a large amount of data. We illustrate on t
 he use of these strategies by addressing the following questions:\nHow the
  find the best material for a given application? How to find materials wit
 h similar pore shape? How to design a material that optimally binds CO2? A
 nd\, what can we machine) learn from failed experiments?\n 
LOCATION:CE 0 349 https://plan.epfl.ch/?room==CE%200%20349
STATUS:CONFIRMED
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