Inverse Design on Sibasankar Panigrahyhttps://siba-p.github.io/tags/inverse-design/Recent content in Inverse Design on Sibasankar PanigrahyHugoen-usFri, 09 Oct 2026 07:00:00 +0530Teaching attention to read a surfacehttps://siba-p.github.io/notebook/2026-10-09-attention-reads-a-surface/Fri, 09 Oct 2026 07:00:00 +0530https://siba-p.github.io/notebook/2026-10-09-attention-reads-a-surface/<p>Umbrella sampling is the workhorse for computing how strongly a polymer sticks to a surface. You pull the chain away in windows, sample each one, and stitch them together into a potential of mean force (PMF). It is reliable, and it is slow. If you want to <em>screen</em> polymer sequences against surface patterns, the combinatorics quickly outrun any compute budget.</p>