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

An international team of scientists has unveiled the most comprehensive model yet that explains how cells control the flow of ...

When machine learning is used to suggest new potential scientific insights or directions, algorithms sometimes offer ...

Physicists at MIT have developed a new way to probe inside an atom's nucleus, using the atom's own electrons as "messengers" ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...

Organic light-emitting diodes (OLEDs) have become a cornerstone in display and lighting technologies, driving the demand for efficient organic thermally activated delayed fluorescence (TADF) materials ...

You can anticipate a color before you see it, based solely on the length of light waves. Music can be interpreted from notes on a page without being heard. Not so with odor. The only way to tell if ...

Researchers at the Massachusetts Institute of Technology and Recursion Pharmaceuticals Inc. have released an open-source AI model that can predict the binding strength of small molecules as well as ...

The model also predicts the binding mechanism (non-covalent interactions) between the drug and the target protein. The core innovation of this technology lies in its "simultaneous design" approach.