Simulating how atoms and molecules move over time is a central challenge in computational chemistry and materials science. Classical machine learning approaches to molecular dynamics (MD) encode ...

Powerful cyclones can push seawater miles inland, threatening densely populated communities and critical infrastructure built along coastal areas. A combination of exposure and complexity makes the ...

For decades, relaxor ferroelectrics have powered everything from medical ultrasounds to sonar systems, yet their inner atomic ...

A long-standing mystery in materials science is beginning to unravel as researchers directly probe the hidden atomic ...

Researchers from BIFOLD and Google DeepMind have developed MD-ET, a transformer-based molecular dynamics model that achieves state-of-the-art results without encoding traditional physical constraints ...