Parameterizing\nComplex Reactive Force Fields Using\nMultiple Objective Evolutionary Strategies (MOES): Part 2: Transferability\nof ReaxFF Models to C–H–N–O Energetic Materials

The Multiple Objective Evolutionary\nStrategies (MOES) algorithm\nwas used to parametrize force fields having the form of the reactive\nmodels ReaxFF (van Duin, A. C. T.; Dasgupta, S.; Lorant, F.; Goddard,\nW. A. <i>J. Phys. Chem. A</i> <b>2001</b>, <i>105</i>, 9396) and ReaxFF-<i>lg</i> (Liu, L.; L... View More