“…[31] It is also more complicated to apply TTM-MD to nonmetallic targets. [30,32,33] In contrast to TTM, Monte Carlo modeling is fully capable of tracing nonequilibrium and ballistic electronic transport, effects of valence holes in nonmetallic materials, core holes kinetics, transport of photons, and it does not require fitting parameters. [34] A similar idea for a concurrent MC-MD scheme was previously used in a few codes, such as, e.g., MBN Explorer, [35] XTANT, [36,37] and XMDYN.…”