Called a landmark discovery, scientists create a molecule with an unprecedented electronic pattern that revolutionizes ...

The development of advanced methodologies in theoretical chemistry has been crucial to improve our microscopic understanding of molecular processes, not only enhancing our ability to model and predict ...

Published today in Science, the discovery marks the creation and observation of the first molecule with a half-Möbius ...

Advancements in quantum computing enable accurate modeling of chemical interactions, benefiting pharmaceuticals, clean energy, and manufacturing sectors.

Electronic structure as a research area focuses on the quantum-mechanical description of electrons in atoms, molecules, solids, and nanostructures, and on how this governs their structural, ...