(156b) A Computational Roadmap for Better Electronic Noses
AIChE Annual Meeting
2019
2019 AIChE Annual Meeting
Topical Conference: Applications of Data Science to Molecules and Materials
Topical Plenary: Topical Conference in Molecular and Materials Data Science (Invited Talks)
Monday, November 11, 2019 - 12:53pm to 1:08pm
So what would it take to build a better electronic nose? Electronic noses rely on arrays of chemically distinct materials that each interact uniquely with different gas species, which is closely analogous to how biological noses work. Current electronic noses, however, use small arrays with typically less than 20-30 materials. Dogs, on the other hand, have thousands of distinct olfactory receptors, each of which are replicated tens of thousands of times throughout the interior of their noses. Recent evidence suggests that building larger arrays can significantly improve electronic nose performance, but only if the sensing materials are carefully chosen. For large arrays this becomes a classic âbig dataâ problem, requiring significant computational power and clever algorithms to address the combinatorial explosion of possible arrays one could construct.
In this talk, we discuss recent work on the computational design of gas sensing arrays, based on modeling gas adsorption in metal-organic frameworks (MOFs), and lay out a roadmap for how we might eventually build an electronic nose that could rival a dogâs one.