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 ...

The scale of chemistry simulations with quantum computing has increased dramatically in just the last few months. In the ...

MOF glasses, hybrid structures that assemble metal atoms and organic molecules, are capable of trapping gases such as CO₂ or ...

That study contrasted two strategies: forward modeling, which simulates explosions from a guessed geometry and compares to data, and inversion modeling, which attempts to run the physics backward.

Two IBM quantum processors working in concert with two supercomputers simulate a protein-ligand system with 12,000 atoms ...

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.

Many drug and antibody discovery pathways focus on intricately folded cell membrane proteins. When molecules of a drug ...

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 ...