logoalt Hacker News

dekhn • today at 1:37 AM • 1 reply • view on HN

This is where I start to get curious.

Why haven't these theories had more impact on materials science? We use DFT and other greatly simplified approaches (with tremendous results) but still I suspect we are massively underperforming in terms of producing materials with useful properties.


Replies

hershkumar • today at 3:08 AM

QCD simulations (like lattice QCD) are extremely expensive (exponential in the number of constituent quarks) and usually things like material properties require bulk physics, in large system sizes. The separation of scale between a theory like QCD and something like a simple metal makes it very difficult to practically do a first principles computation.