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