Covalent organic frameworks (COFs) have been hailed as next-generation materials for capturing water from air, powering ...

By combining AI with molecular dynamics simulations, researchers at the Department of Energy's Oak Ridge National Laboratory ...

This is what fun looks like for a particular set of theoretical chemists driven to solve extremely difficult problems: ...

A new computational study reveals that polyethylene furanoate (PEF) — a bio-based polyester — has markedly stronger ...

If you've ever held or beheld a diamond, there's a good chance it came from a kimberlite. Over 70% of the world's diamonds ...

AI analysis uncovers why certain protein interactions behave like a finger trap, gripping tighter the harder they’re pulled.

Tapping into the growing market for Vertical AI solutions, the partnership between Marine Biologics and MQS addresses these ...

Scientists at Harvard have discovered how salts like lithium bromide break down tough proteins such as keratin—not by ...

Water molecules are emerging as pivotal players in drug design and the molecular dynamics of protein–ligand complexes. Their unique properties not only mediate solvation effects and contribute to the ...

ORNL developed an AI tool blending simulations with AI to predict plant-microbe interactions, optimizing plant growth.

By combining AI with molecular dynamics simulations, researchers have developed a new tool to more accurately predict how ...