I want to do a small program to take the derivative of a function. Does anyone know offhand an algorithm to do that or where I can find info about it?

However, quantum circuits relevant to quantum algorithms capable of performing the energy derivative calculations had not been implemented.

Quantum algorithm of the direct calculation of energy derivatives developed for molecular geometry optimization. ScienceDaily . Retrieved June 2, 2025 from www.sciencedaily.com / releases / 2022 ...

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The first-derivative method CONGRA is best for large problems where the objective function and the gradient can be computed much faster than the Hessian and where too much memory is required to store ...

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Illustration of how researchers used their new "SimplifiedBondfinder" algorithm to reveal hidden chemical bonds in proteins. It combines machine learning (UMAP*), quantum mechanical modeling, and ...

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