About Us

RxFF_Consulting, LLC is a company based in State College, PA near Pennsylvania State University. Our main focus is to develop ReaxFF force field parameters for new materials and provide consulting on ReaxFF and other computational chemistry applications.

ReaxFF reference:

A.C.T. van Duin, S. Dasgupta, F. Lorant, F and W.A. Goddard III J. Phys. Chem. A 105, 9396 (2001)

Recent ReaxFF overview paper:

M. F. Russo Jr. and A.C.T. van Duin, Nucl. Instrum. Meth. B 269, 1549-1554 (2010)