(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 ...

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

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 ...

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 ...

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 ...

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 ...

Chemistry research is heavily reliant on modern facilities, instrumentation, and technical support personnel. The Department of Chemistry is endowed with a full complement of support services, shops, ...