A new computational method allows modern atomic models to learn from experimental thermodynamic data, according to a ...

“Force fields” have long captured our imagination — the invisible shields of science-fiction lore that protect starships and superheroes from harm. But in the world of scientific discovery, force ...

Polymers are fundamental to our daily lives, serving as the core components for a wide array of goods, including clothing, packaging, transportation ...

CP2K is a widely used open-source package for atomic and molecular simulations, including AI training data. A new overview outlines its methods and scope. The CP2K package contains apps and algorithms ...

Researchers from Radical AI have published a paper describing TorchSim, a next-generation open-source atomistic simulation engine built entirely in PyTorch. By rewriting the core primitives of ...

Continuous downscaling of the critical dimensions in semiconductor devices is the cornerstone of technological revolution. As the technology nodes keep shrinking, innovations in fabrication ...

The cover image of 10/2024 issue of Bioconjugate Chemistry, displaying a tunable ligand-protected gold nanocluster as a drug delivery system with high affinity to integrin αvβ3, a key regulator of ...