(Nanowerk News) Researchers from Carnegie Mellon University and Los Alamos National Laboratory have used machine learning to create a model that can simulate reactive processes in a diverse set of ...

Add Yahoo as a preferred source to see more of our stories on Google. Although the Nobel Prizes in physics and chemistry are awarded separately, there is a fascinating connection between the winning ...

Researchers at Stony Brook University’s Materials Science and Chemical Engineering Department have been using computers that are capable of learning to recognize various steps in the complex movement ...

A new machine learning tool can calculate the energy required to make -- or break -- simple molecules with higher accuracy than conventional methods. Extensions to more complicated molecules may help ...

Peer-reviewed research finds the company’s novel technology enables faster dataset construction, further shortening Avicenna’s timelines to develop life-saving medicines. “We’re accustomed to hearing ...

Machine-learning tools have taken us closer to understanding electrons and how they behave in chemical interactions, following news that UK-based AI company DeepMind, owned by Google’s parent company ...

In March, a paper in the Journal of the American Chemical Society sparked a heated Twitter debate on the value of machine learning for predicting optimal reaction pathways in synthetic chemistry. The ...

The conversion of carbon dioxide into clean fuels is regarded as an important route toward carbon neutrality. CO 2 methanation, in particular, has drawn increasing interest due to its favorable ...

Chemistry deals with that most fundamental subject: matter. New drugs, materials and batteries all depend on our ability to make new molecules. But discovery of new substances is slow, expensive and ...