This is what fun looks like for a particular set of theoretical chemists driven to solve extremely difficult problems: Deciding whether the electromagnetic fields in molecular polaritons should be ...

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 ... of how to control ...

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

Imagine zooming into matter at the quantum scale, where tiny particles can interact in more than a trillion configurations at ...

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

Molecular dynamics simulation has emerged as a crucial bridge between theoretical understanding and experimental observation ...

Gear-obsessed editors choose every product we review. We may earn commission if you buy from a link. Why Trust Us? Here’s what you’ll learn when you read this story: Many philosophers and scientists ...