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

Bridging quantum mechanics and crystallography, quantum crystallography offers precise analysis of crystalline materials, impacting various scientific fields.

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 ...

Learn about the importance of quantum chemistry in targeting mutant proteins effectively in drug discovery for ...

They ask us to believe, for example, that the world we experience is fundamentally divided from the subatomic realm it’s built from. Or that there is a wild proliferation of parallel universes, or ...

Quantum mechanics is one of the most successful theories in science — and makes much of modern life possible. Technologies ranging from computer chips to medical-imaging machines rely on the ...

Are the mysteries of quantum mechanics finally starting to crack, or are we just getting better at asking sharper questions? Since the 2022 Nobel Prize in Physics honored experiments on quantum ...

The 2024 Gordon Bell Prize goes to researchers led by the University of Melbourne for using the Frontier supercomputer to conduct a quantum molecular dynamics simulation 1,000 times greater in size ...

A new computational approach developed at the University of Chicago promises to shed light on some of the world’s most puzzling materials—from high-temperature superconductors to solar cell ...

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 ...

Time feels steady and familiar in daily life, but at the quantum level it becomes slippery. That puzzle now has a fresh twist thanks to new research led by physicists at École Polytechnique Fédérale ...

As high-power lasers have become increasingly important in scientific research, engineers have been working to build more powerful beam emitters. Now Lawrence Livermore National Laboratory (LLNL) in ...