Newly uncovered structure-composition relationship could help to improve AI's ability to predict new inorganic materials ...

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, ...

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 ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...

There are few problems now that AI and machine learning cannot help overcome. Researchers from the Yokohama National University are using this modern advantage to resolve what conventional methods ...

The Department of Energy's Lawrence Berkeley National Laboratory (Berkeley Lab) and several collaborating institutions have ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

The world is awash with news about artificial intelligence tools, including those intended to help chemists. But are the tools useful, a threat, or even worth the attention? It’s hard to know, ...

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 ...

(Nanowerk News) Lawrence Berkeley National Laboratory (Berkeley Lab) and several collaborating institutions have successfully demonstrated a machine-learning technique to accelerate discovery of ...