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 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 ...

This flowchart illustrates the hybrid quantum-classical approach used to identify the optimal diarylethene (DAE) derivatives with large absorbance wavelengths (λmax) and high oscillator strengths. The ...

The key for optimizing cell-line development for antibody derivatives might just be to prioritize early assessment of product ...

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 ...