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 ...

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

The powerful software can reduce the time needed to simulate reactions with large molecules from weeks to just minutes.

Atom-level understanding of how the surface electronic properties of a magnetic semimetal can be tuned could guide its use in ...

Chemistry and physics are combining forces at Columbia, and it's leaving everyone frustrated—in a good way. New work, published in Nature Physics, describes a new two-dimensional material capable of ...

Scientists have decoded the electronic structure of water, opening up new perspectives for technological and environmental applications. There is no doubt that water is significant. Without it, life ...

Obtaining a solution to the many-electron Schrödinger equation stands as one of the grand challenges in chemistry and physics. Highly accurate solutions are achievable for relatively small systems ...

Back in 2010, crystallographer Tim Gruene heard a scientist from drugmaker Novartis say something that stuck with him. The pharmaceutical giant had amassed a collection of around 2 million small ...

Yiquan Fang watched this leaf change color before his eyes—or at least he saw the liquid crystals inside this leaf design change color. Fang, a graduate student in Changchuan Wang’s lab at Fudan ...