Six popular machine learning models. (a) Decision tree; (b) feedforward neural network (Trans: transformation; Activ Func: activation functions); (c) convolution neural network (Conv: convolution; ...

(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 ...

There is more than one way to describe a water molecule, especially when communicating with a machine learning (ML) model, says chemist Robert DiStasio. You can feed the algorithm the molecule's ...

Move over human chemists, there are now molecule-sized robot arms that do chemical synthesis with high selectivity and efficiency, and take no vacation. A team of researchers led by chemist David A.

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 ...

After visiting research labs in South America and seeing the equipment scientists in developing countries have to conduct research, Lina Nilsson, a bioengineering postdoc at the University of ...

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 ...