A research team from the University of Xiamen has developed a machine learning potential specifically for Pt-water interfaces. This research harnessed machine learning molecular dynamics to uncover ...

AI and machine learning are revolutionizing drug discovery, development, and lifecycle management, addressing industry ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin introduces a breakthrough in protein simulation. The study, published in the ...

The cover image of 10/2024 issue of Bioconjugate Chemistry, displaying a tunable ligand-protected gold nanocluster as a drug delivery system with high affinity to integrin αvβ3, a key regulator of ...

A research team at the University of Xiamen has created a machine learning potential for Pt-water interfaces. This study used molecular dynamics machine learning to uncover the complex interactions at ...

Sandia National Laboratories announced today a new speed record in molecular dynamics simulation. A collaborative research team ran simulations using the Cerebras Wafer Scale Engine (WSE) processor ...

Imagine being able to program materials to control heat like you can control a light with a dimmer switch. By simply squeezing or stretching the materials, you can make them hotter or colder.

Join us to learn about how to use cutting edge GPU infrastructure to solve real world material discovery problems with AI and unsupervised machine learning. Our lab in the Department of Materials ...