In 1927, Oppenheimer published a paper called “On the Quantum Theory of Molecules” with his research adviser Max Born. This paper outlined what is commonly referred to as the Born-Oppenheimer ...

A gold superconducting quantum computer hangs against a black background. Quantum computers, like the one shown here, could someday allow chemists to solve problems that classical computers can’t.

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 ...

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, ...

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 ...

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

Research from Gagliardi Group offers a powerful new toolkit to understand and eventually design complex materials, including high-temperature superconductors and solar cell semiconductors. (Image: ...

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 ...

On May 7, 1981, influential physicist Richard Feynman gave a keynote speech at Caltech. Feynman opened his talk by politely rejecting the very notion of a keynote speech, instead saying that he had ...

After the applied mathematician Peter Shor, then at Bell Labs in New Jersey, showed that a quantum algorithm could, in theory ...