In order to utilize quantum chemical calculations for chemistry and related fields, it is essential to develop geometry optimization methods for finding the most stable structure of molecules. The ...

The algorithms could also benefit AI by generating large, diverse datasets to train models or by enabling quantum-enhanced ...

Chemistry and physics are combining forces at Columbia, and it's leaving everyone frustrated—in a good way. New work, published in Nature Physics, describes a new two-dimensional material capable of ...

Quantum computing has entered a bit of an awkward period. There have been clear demonstrations that we can successfully run quantum algorithms, but the qubit counts ...

A team of researchers from the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory and Stony Brook University have devised a new quantum algorithm to compute the lowest energies of ...

Catalysts play an indispensable role in modern manufacturing. More than 80% of all manufactured products, from pharmaceuticals to plastics, rely on catalytic processes at some stage of production.

Physicists at the Max Planck Institute for the Structure and Dynamics of Matter (MPSD) in Hamburg have discovered a striking new form of quantum behavior. In star-shaped Kagome crystals—named after a ...

D-Wave Quantum Inc. (Palo Alto, Calif.; a leader in quantum computing systems, software, and services, and BASF (Ludwigshafen, ...

In recent years, research and development on quantum computers has made considerable progress. Quantum chemical calculations for electronic structures of atoms and molecules are attracting great ...