Required Citations¶

When you publish results in the scientific literature that were obtained with programs of the ADF package, you are required to include references to the program package with the appropriate release number, and a few key publications.

For calculations with the UFF4MOF parameters:
M.A. Addicoat, N. Vankova, I.F. Akter, and T. Heine, An extension of the Universal Force Field to Metal-Organic Frameworks, J. Chem. Theory Comput. 10, 880-891 (2013)
For calculations with the UFF4MOFII parameters:
D.E. Coupry, M.A. Addicoat, and T. Heine, An Extension of the Universal Force Field for Metal-Organic Frameworks, J. Chem. Theory Comput. 12, 5215-5225 (2016)

External programs and Libraries¶

Click here for the list of programs and/or libraries used in the ADF package. On some platforms optimized libraries have been used and/or vendor specific MPI implementations.