Subsections of Seaching algorithms

Random search (RS)

under construction

Evolutionary algorithm (EA)

under construction

Bayesian optimizaion (BO)

under construction

LAQA

Score $ L $

$$ L = -E + w_F \frac{F^2}{2\Delta F} + w_S S. $$
SymbolNote
$$ E $$Energy (eV/atom)
$$ w_F $$Weight of the force term. Default: $ w_F = 0.1$
$$ F $$Averaged norm of the atomic force (eV/Å)
$$ \Delta F $$Absolute difference of $ F $ from the previous step. $ \Delta F = 1$ for the first step. $ \Delta F = 10^{-6}$ if $ \Delta F \le 10^{-6} $.
$$ w_S $$Weight of the stress term. Default: $ w_S = 10.0$
$$ S $$Average of the absolute values of the components of the stress tensor (eV/Å^3).

Reference