E.K.C. Lee Event: What’s in a shape? Towards a unifying picture of bonding and crystal complexity

Abstract: Chemical bonds are among the most fundamental concepts in science. They describe the way in which atoms associate to form molecules and compounds, and they have been a central paradigm of science for a century. Today, powerful software packages that solve quantum mechanical theories of chemical bonding are in routine use to predict molecular and crystal structures.

E.K.C. Lee Event - The materials for tomorrow, today

In this talk, I argue that for materials discovery, one needs to go beyond simple computational screening approaches followed by traditional experimentation. I have been working on the design and implementation of what I call “materials acceleration platforms” (MAPs). MAPs are enabled by the confluence of three disparate fields, namely artificial intelligence (AI), high-throughput quantum chemistry (HTQC), and robotics.

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