“…The Pauli exclusion principle can be incorporated approximately with appropriately designed contributions to the potentials. Central questions of MD calculations are the fragment recognition (Dorso and Randrup, 1993;Strachan and Dorso, 1997), the chemical composition (Horowitz, Berry, and Brown, 2007;Horowitz and Berry, 2009;Dorso, Giménez Molinelli, López, and Ramirez-Homs, 2012;, the appearance of different, sometimes complicated, shapes in the density distribution and their topological characterization (Watanabe et al, 2003b;Dorso, Giménez Molinelli, and López, 2012;Alcain, Giménez Molinelli, Nichols, and Dorso, 2014;Schneider et al, 2014;Horowitz et al, 2015), and phase transitions (Watanabe et al, 2005;. Structure functions and quantities related to the dynamical response can be extracted as well (Horowitz et al, , 2005Caballero et al, 2008;Berry, 2008, 2009).…”