Quantum chemistry uses quantum mechanics for the first-principle exploration of chemical systems. In principle, all chemical phenomena can be studied by solving the Schrödinger equation, the ...

Here we introduce a framework for molecular structure optimization using a denoising model on a physics-informed Riemannian manifold (R-DM). Unlike conventional approaches operating in Euclidean space ...

The activation of organic substrates via single-electron transfer (SET) using photoredox catalysts is a powerful tool in organic synthesis 1,2,3,4,5,6,7. Metallophotocatalysis merges photoredox ...