Understanding chemical reactions and material properties consumes about a third of US national lab supercomputer time. At the ...

Single-atom catalysts (SACs), with their excellent metal atom utilization and unique physicochemical properties, hold promise for broad applications, especially in heterogeneous catalysis and energy ...

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

Scientists use quantum many-body data and machine learning to boost density functional theory accuracy for chemistry and ...

A collaborative team has revealed new observational evidence that sheds light on the mystery of massive star formation. Researchers from Yunnan University, the Shanghai Astronomical Observatory of the ...

Researchers have developed a new theory of molecular evolution, offering insights into how genes function, how the rates of evolutionary divergence can be predicted, and how harmful mutations arise at ...

Scientists have now answered a 40-year-old question about Arctic ice thickness by treating the ice floes of the frozen seas like colliding molecules in a fluid or gas. Yale University scientists have ...