PagePeek revolutionizes paper assessment in molecular dynamics through AI-driven validation, ensuring reproducibility, ...

Researchers from Los Alamos National Laboratory, the Max Planck Institute, and Nvidia developed a teacher–student AI ...

PagePeek introduces an AI-powered paper evaluation system for rhodopsin research, integrating structural, spectroscopic, and ...

Combining equilibrium and non-equilibrium approaches separates fluid into near-wall and bulk fluid regions, showing that all ...

Sandia National Laboratories announced today a new speed record in molecular dynamics simulation. A collaborative research team ran simulations using the Cerebras Wafer Scale Engine (WSE) processor ...

In synthetic and structural biology, advances in artificial intelligence have led to an explosion of designing new proteins ...

Graduate student Millan Welman of the Hammes-Schiffer Group is first author on a new paper that presents a hierarchy of first principles simulations of the dynamics of molecular polaritons. The ...

Physics-based ML framework designs IDPs—biomolecules without fixed structures that underlie key functions and diseases such as Parkinson’s.

In a study appearing in Physical Chemistry Chemical Physics, researchers used quantum-chemical molecular dynamics simulations ...

In nature, the behavior of systems—whether large or small—is always governed by a few fundamental principles. For instance, ...