Molecular dynamics model uses topological order parameter to show stratification of water molecules based on density.

Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical physics. Experiment alone cannot establish the atomic structure of solid hydrogen at high pressure ...

Hollow atoms are special atoms with multiple missing electrons in their inner shells, while their outer shells are still ...

The growing demands for ultrahigh energy density batteries used in electronic devices, electrical vehicles, and large-scale energy storage have inspired wide search on novel electrode materials ...

Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of ...