Molecular Potentials Energy = sum 2-body terms + sum 3-body terms + … Stillinger-Weber SiF potential function 2-body(r) –A(Br -p - r -q ) * cutoff –Cutoff = exp(C/(r-a)); r < a, 0 otherwise 3-body(r ij,r jk,theta) = –(alpha + lambda (cos(theta) - cos(theta 0 ))^2)) * cutoff –Cutoff = exp(gamma(1/(r ij - a1) + 1/(r jk - a1)) FFF additional term = –delta(r ij r jk ) -m * cutoff –Cutoff = exp(beta(1/(r ij - a2) + 1/(r jk - a2))) Discovering parameters can require months or years
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