Quantum Chemistry And Computing For The Curious [2021] ◉ [ ORIGINAL ]

Classical supercomputers fail for molecules like caffeine ((N\approx 100) electrons). So chemists use approximations—good, but not perfect.

The caffeine molecule that currently defeats our supercomputers? It’s only a matter of time before a quantum computer solves it before your morning coffee gets cold. quantum chemistry and computing for the curious

Key applications:

We end up using "cheats" (approximations like Density Functional Theory) that are good but not perfect. We are missing the fine print of nature. quantum chemistry and computing for the curious

: “Quantum advantage” for a useful chemical problem (e.g., FeMo cofactor in nitrogenase). quantum chemistry and computing for the curious

This is like using a 3D model to solve a 3D problem, rather than projecting it onto a 2D screen.