Figure 1

Comparison of the average over the final potential energies at 0 K of amorphous carbon as generated by the various minimization method as a function of the quenching time $\Delta t_{\mathrm{cool}}$. The averages are based on 40 independent simulations, allowing for the calculation of variances and error bars as indicated. Note the logarithmic scale for the “time” axis.Reuse & Permissions

Figure 2

Evolution of the (a) potential energy, (b) sum of the squared residuals of the RDF and (c) Tauc gap as a function of time during the optimization using the mfHMC-NVE technique to determine the structure of amorphous carbon. The solid line denotes our simulation method, while the conventional SA approach is depicted by the dashed line. The comparison of the corresponding $G\left(r\right)$, as obtained using both techniques, with the experimental one,[34] given by the solid line, is shown in Fig. 2d. Due to the nearly perfect agreement, the experimental curve is almost completely covered by the results from the present method (red line).Reuse & Permissions