A common questions for users of ReaxFF in LAMMPS
is where to get force field files for specific materials.
Adri van Duin (ReaxFF originator) mentioned to me
that their group has a WWW site where questions of
this nature can be submitted. Here is the note I just
added to the ReaxFF doc page in LAMMPS:
IMPORTANT NOTE: We do not distribute a wide variety of ReaxFF force
field files with LAMMPS. Adri van Duin's group at PSU is the central
repository for this kind of data as they are continuously deriving and
updating parameterizations for different classes of materials. You
can visit their WWW site at
as a "new user", and then submit a request to their group describing
material(s) you are interested in modeling with ReaxFF. They can tell
you what is currently available or what it would take to create a
suitable ReaxFF parameterization.