Bereau, Tristan Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;
Andrienko, Denis Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;
Bereau, T., Andrienko, D., & von Lilienfeld, O. A. (2015). Transferable Atomic Multipole Machine Learning Models for Small Organic Molecules. Journal of Chemical Theory and Computation, 11(7), 3225-3233. doi:10.1021/acs.jctc.5b00301.