A new technical paper titled “Deep-learning atomistic semi-empirical pseudopotential model for nanomaterials” was published ...

The field of computational chemistry involves the quantitative treatment of the quantum and classical depiction of atoms and molecules. The first part of the class will involve the quantum chemistry ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...