Protein molecules can have complicated structures that dictate their functions. Christoph Burgstedt/Science Photo Library via Getty Images Although the Nobel Prizes in physics and chemistry are ...

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 ...

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 ...

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 ...

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, ...

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 ...