The new research presented in Physical Review Letters explains the complex process that requires not just energy to escape, but also tight maneuvering through a quantum door. Despite its widespread ...

DELID decomposes complex molecules into chemically valid substructures, retrieves electron-level properties of these fragments from quantum chemistry databases, and uses a self-supervised diffusion ...

"God does not play dice." This famous remark by Albert Einstein critiqued the probabilistic nature of quantum mechanics. Paradoxically, his theory of relativity has become an essential tool for ...

Achieving state-of-the-art accuracy in molecular property prediction using self-supervised AI, enabling cost-effective modeling based on electron-level information without quantum calculations ...

The proof, known to be so hard that a mathematician once offered 10 martinis to whoever could figure it out, uses number ...

Chinese researchers used the Oceanlite supercomputer and a custom NNQS model to simulate molecular systems with 120 spin ...