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Ah, the jewel of computational physics.
Also known as an ab initio method: no experimental measurement is taken as input, QED is all you need.
But since QED is thought to fully describe all relevant aspects molecules, it could be called "the" ab initio method.
For one, if we were able to predict protein molecule interactions, our understanding of molecular biology technologies would be solved.
No more ultra expensive and complicated X-ray crystallography or cryogenic electron microscopy.
And the fact that quantum computers are one of the most promising advances to this field, is also very very exciting: Section "Quantum algorithm".