A new algorithm opens the door for using artificial intelligence and machine learning to study the interactions that happen ...

Density functional theory is a widely used computer-based quantum mechanical method for calculating properties of atoms, ...

Manufactured chemicals and materials are necessary for practically every aspect of daily life, from life-saving ...

Researchers at the Catalan Institute of Nanoscience and Nanotechnology (ICN2) have developed a pioneering method for obtaining various types of organic molecule through a process of molecular 'cutting ...