By applying new methods of machine learning to quantum chemistry research, Heidelberg University scientists have made significant strides in computational chemistry. They have achieved a major ...

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 ...

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 ...

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 ...

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.

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 ...