A substance that has, for decades, been considered an essential component of accepted chemistry calculations does not actually exist, according to new research conducted by scientists from the ...

Inside what looks like a simple block of frozen water, quantum mechanics is quietly rewriting the rules of chemistry. New calculations are revealing how protons tunnel, bonds flicker and molecules ...

The world's most powerful supercomputer has raised the bar for calculating the number of atoms in a molecular dynamics simulation 1,000 times greater in size and speed than any previous simulation of ...

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 ...

For the first time, a quantum computer has improved its results by repeatedly fixing its own mistakes midcalculation with a technique called quantum error correction ...

According to a recent study published in the journal Intelligent Computing, researchers created a novel quantum-classical computing scheme for designing photochromic materials and light-sensitive ...

In an IBM lab in Yorktown Heights, N.Y., a circuit board sits at the bottom of a large tub cooled to temperatures colder than those of outer space. Shiny, solderlike zigzags of niobium cover the board ...

Artificial intelligence (AI) machine learning is being applied to help accelerate the complex science of quantum mechanics—the branch of physics that studies matter and light on the subatomic scale.