So, what exactly is quantum theory in chemistry? It’s basically the set of ideas that explain how atoms and molecules behave at a really, really tiny level. Think smaller than you can even imagine.

One of the biggest promises of quantum computing is the ability to simulate molecules ...

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

In a new paper published in The Journal of Chemical Theory and Computation, researchers from IBM Quantum and Lockheed Martin demonstrate how a quantum computer can help accurately model the electronic ...

Quantum chemistry is helping scientists understand why some chemical reactions succeed while others fail, by showing how the movement of electrons affects each step ...

Quantum chemistry calculations offer the best combination of efficiency and accuracy for predicting molecular properties. But the complexity of density functional theory and other methods makes them ...

An international team of researchers has synthesized a carbon chain molecule with a never-before-seen electronic twist and ...

STOCKHOLM (CBS Chicago/CBS Boston/AP) -- University of Chicago alum Moungi Bawendi was one of three scientists who won the 2023 Nobel Prize in Chemistry Wednesday for their work on minuscule particles ...

An international team of physicists has proven new theorems in quantum mechanics that describe the 'energy landscapes' of collections of quantum particles. Their work addresses decades-old questions, ...

When ultraviolet light hits ice—whether in Earth's polar regions or on distant planets—it triggers a cascade of chemical reactions that have puzzled scientists for decades. Now, researchers at the ...