(Nanowerk News) No one will ever be able to see a purely mathematical construct such as a perfect sphere. But now, scientists using supercomputer simulations and atomic resolution microscopes have ...

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 ...

The distribution of outermost shell electrons, known as valence electrons, of organic molecules was experimentally observed for the first time by a team led by Nagoya University in Japan. As the ...

The distribution of outermost shell electrons, known as valence electrons, of organic molecules was observed for the first time. As the interactions between atoms are governed by the valence electrons ...

Orbital-free approach enables precise, stable, and physically meaningful calculation of molecular energies and electron ...