Quantum algorithm of the direct calculation of energy derivatives developed for molecular geometry optimization A significant step toward social implementation of chemical quantum calculations on a ...

Quantum chemistry uses quantum mechanics for the first-principle exploration of chemical systems. In principle, all chemical phenomena can be studied by solving the Schrödinger equation, the ...

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 ...

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 ...