Mike Devereux, Nohad Gresh, Jean-Philip Piquemal, Markus Meuwly. A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field.
Journal of Computational Chemistry, Wiley, 2014, 35 (21), pp.1577-1591.
⟨10.1002/jcc.23661⟩.
⟨hal-02126862⟩