Computational chemists at the University of Amsterdam's Van 't Hoff Institute for Molecular Sciences have developed a ...

An international collaborative research group has developed a new computational method to visualize the electronic states of ...

The HS-I, CS-I, and CS-II structures of hydrate correspond to the Z, A15, and C15 phases of the Frank-Kasper phase, respectively. With the discovery of HS-I, the primitive structures at the three ...

Posts from this topic will be added to your daily email digest and your homepage feed. AlphaFold 3 uses the same method as AI image generators to predict how different molecules fit together.

A new computational method extracts electronic band structures from finite, imperfect, and curved nanomaterials, linking nano ...

Researchers have made significant inroads in understanding how nanoplastics and per- and polyfluoroalkyl substances (PFAS) -- commonly known as forever chemicals -- disrupt biomolecular structure and ...

A new molecule takes an unexpected turn. Scientists created half-Möbius molecules, similar to the Möbius strips common in math classes, but half as twisty. It’s a type of topology, or geometrical ...

The questions of how humankind came to be, and whether we are alone in the universe, have captured imaginations for millennia. But to answer these questions, scientists must first understand life ...