where f is the activation function, b j i are the bias weights. Each node i in each layer k is connected to the nodes j in the next layer l = k + 1 by weights a kl ij . The total energy (E tot ) of the system is the collective sum of these atomic energies, each computed via an individual ANN process. The force F acting on each atom is subsequently computed from the negative gradients of the total energy with respect to its atomic coordinates according to F n = -∇ n E tot (n = x, y, z). In this scenario, a direct relationship is absent, attributed to the conversion of atomic cartesian coordinates into the symmetry functions. Consequently, to compute the force components acting on each atom, the chain rule must be employed.