One of the biggest promises of quantum computing is the ability to simulate molecules ...

Although the potential applications of quantum computing are widespread, a new feasibility study suggests quantum computers ...

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 ...

Two popular quantum computing algorithms for problems in chemistry may have very limited use even as quantum hardware ...

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 ...

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 ...

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 ...

Kyulux Inc. used materials informatics (1) that combines quantum chemistry calculations and machine learning and succeeded in achieving higher efficiency and longer lifetime for unique OLED technology ...