@article{HuelsmannKoppHuberetal.2013,
  author    = {Marco H{\"u}lsmann and Sonja Kopp and Markus Huber and Dirk Reith},
  title     = {Utilization of efficient gradient and Hessian computations in the force field optimization process of molecular simulations},
  series   = {Computational Science \& Discovery},
  volume    = {6},
  number    = {1},
  publisher = {IOP Publishing},
  issn      = {1749-4680},
  doi       = {10.1088/1749-4699/6/1/015005},
  year      = {2013},
  language  = {en}
}