The forcefield, CLAYFF, is developed to model clay materials and related interactions. The initial publication appeared in,
Randall T. Cygan, Jian-Jie Liang, and Andrey G. Kalinichev (2005) "Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field" J. Phys. Chem. B 2004, 108, 1255-1266
The present effort added the following:
1. Compatibility to FORCITE/MatServer forcefield format in Materials Studio;
2. Automatic assignment of types and charges through FORCITE User Interface in Materials Studio.
Please refer to the ReadMe file for installation/configuration procedure. Please report issues to one of the authors in the original publication.
Thanks,
Jian-jie Liang
Ph.D.