A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...

Quantum computing in 2026 still isn't a faster laptop. It doesn't make email snappier, and it won't speed up spreadsheets.

In chemistry, molecules with a "flat" geometry are often stable enough to support a wide range of reactions. But in the quantum world, that's not technically true.

By applying new methods of machine learning to quantum chemistry research, Heidelberg University scientists have made significant strides in computational chemistry. They have achieved a major ...

As quantum Hall effects interact with subtle material vibrations, energy conversion occurs naturally, pointing toward ultra-efficient, low-voltage operation ...

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

Normally, simulations for scientific research are performed on supercomputers as they require tremendous compute throughput. There are also types of research — such as simulation of quantum behavior ...

The commonly used RSA encryption algorithm can now be cracked by a quantum computer with only 100,000 qubits, but the technical challenges to building such a machine remain numerous ...

The U.S. National Science Foundation and United Kingdom Research and Innovation (UKRI) are investing in eight joint research projects that could open the door to breakthroughs in quantum computing, ...

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

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 ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...