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.

Substituent effects are a cornerstone in the analysis of chemical reactivity and properties, providing insight into how different groups attached to a molecular framework can alter electronic ...

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 ...

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

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 ...

Can quantum computers already do more than their fragile hardware seems to allow? PhD student Marten Folkertsma (CWI, QuSoft) ...

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, ...

A recent study, led by Sabre Kais, Distinguished Professor of Chemistry and professor of electrical and computer engineering at Purdue University, and IBM’s Barbara Jones, used a quantum computer to ...

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 Kennedy College of Science, Department of Chemistry, invites you to attend a Ph.D. Research Proposal defense by Kithma Sajini entitled “Computational Investigation of Ligand-Protected Gold ...

Physicists are quietly rewriting the rulebook for how we might cross the gulf between stars, not by bolting bigger rockets to ...