Chemical structures called cyclopropanes can increase the potency of many drugs, but traditional methods to create this structure require highly reactive -- potentially explosive -- ingredients. Now, ...

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 ...

Researchers at the University of Bayreuth have developed a method using artificial intelligence that can significantly speed up the calculation of liquid properties. The AI approach predicts the ...