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 FlexMD:

1. FlexMD 2017, SCM, T. Jiang, H. van Schoot, S. Simko, C. R. Jacob, S. Borini, R. E. Bulo, A python library for flexible multi-scale molecular dynamics simulations. http://www.scm.com

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.