Fig. 1: Flowchart of the construction of artificial neural network (ANN) potentials. a Often, ANN potentials are trained on total energies from reference electronic structure calculations, since direct training of gradients (interatomic forces) is computationally demanding. This approach requires large ...
Figure 4.PSO flowchart. The new gbest may be compared with the previous one, and the gbest with the best solution will be selected as the new gbest, before the iteration continues. The stopping criterion is when the predefined number of iteration sets has been completed or the same solutio...
materials Article Synthesis of Bioactive Chlorogenic Acid-Silica Hybrid Materials via the Sol–Gel Route and Evaluation of Their Biocompatibility Michelina Catauro 1,* ID and Severina Pacifico 2 1 Department of Industrial and Information Engineering, University of Campania "Luigi Vanvitelli", Via Roma ...