Data for Solving the Schrodinger equation using program synthesis

Here, an algorithm is constructed as a linear series of instructions operating on a set of input vectors, matrices and constants which define the problem characteristics, such as the PES.

Discrete optimization is performed using simulated annealing in order to identify sequences of code-lines, operating on the program inputs, which can reproduce the expected ground-state wavefunctions $\psi(x)$ for a set of target PESs. The outcome of this optimization is not simply a mathematical function approximating $\psi(x)$, but is instead a complete algorithm which converts the input vectors describing the system into a ground-state solution of the Schrodinger equation.