Quantum effects can play an important role in chemical reactions. Physicists have now observed a quantum mechanical tunneling reaction in experiments. The observation can also be described exactly in ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

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 ...

The real test of any new quantum chemistry method is whether it can explain or predict behavior in materials that matter for technology. In this case, the LAS‑based approach has already been applied ...

Theoretical quantum chemistry is a central discipline that applies the principles of quantum mechanics to decipher and predict the behaviour of molecular systems. It bridges abstract mathematical ...

A quantum computer and conventional supercomputer that work together could become an invaluable tool for understanding chemicals. A collaboration between IBM and the Japanese scientific institute ...

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.

STOCKHOLM (AP) — Three scientists in the United States won the Nobel Prize in chemistry Wednesday for their work on quantum dots — particles just a few atoms in diameter that can release very bright ...

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 ...