@article{ReithKirschner2011, author = {Reith, Dirk and Kirschner, Karl N.}, title = {A modern workflow for force-field development - Bridging quantum mechanics and atomistic computational models}, journal = {Computer Physics Communications}, volume = {182}, number = {10}, issn = {0010-4655}, doi = {10.1016/j.cpc.2011.05.018}, institution = {Institut f{\"u}r Technik, Ressourcenschonung und Energieeffizienz (TREE)}, pages = {2184 -- 2191}, year = {2011}, language = {en} }