"Quantum algorithm of the direct calculation of energy derivatives developed for molecular geometry optimization." ScienceDaily. www.sciencedaily.com / releases / 2022 / 11 / 221129112741.htm ...

Derivative-free optimisation techniques have emerged as indispensable tools in addressing complex problems where gradient information is either unavailable or unreliable. Such methods bypass the need ...

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 ...