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 ...

(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 ...

Machine learning-based neural network potentials often cannot describe long-range interactions. Here the authors present an approach for building neural network potentials that can describe the ...

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 ...

Computational chemistry lets chemists predict molecules’ properties without measuring them in the lab. Some of the most accurate computational chemistry tools use quantum chemistry, but these ...

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 ...

As compared to organic chemistry, which is a study dedicated to carbon-containing compounds, the area of inorganic chemistry examines the properties and behaviors of all other compounds including ...