A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field.

Wed, 01 Jan 2014 00:00:00 +0100

Michael Devereux , Nohad Gresh, Jean-Philip Piquemal , Markus Meuwly:
A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field. J. Comput. Chem. 35(21): 1577-1591 (2014)