Separations of electric poles in tetragonal barium titanate during transition from up to down polarization in the presence of an electric field. Researchers in the Harvard John A. Paulson School of ...

Most materials, especially metals and ceramics, are crystals. Their atoms are arranged in three-dimensional lattices that repeat the same exact pattern, over and over again. But there's a well-known ...

Researchers developed an AI model that stabilizes molecular simulations under extreme conditions, enabling long, accurate ...

A team based at Princeton University has accurately simulated the initial steps of ice formation by applying artificial intelligence (AI) to solving equations that govern the quantum behavior of ...

Prem Chapagain can usually be found in his lab, modeling atoms and electrons to understand how proteins fold and viruses replicate — research that could lead to new treatments for disease or vaccines.

Researchers created a machine learning model that predicts material responses to electric fields with quantum accuracy for up to a million atoms, speeding simulations. (Nanowerk News) Researchers in ...