@article{StrickstrockHuelsmannReithetal.2022,
  author    = {Robin Strickstrock and Marco H{\"u}lsmann and Dirk Reith and Karl N. Kirschner},
  title     = {Optimizing Lennard-Jones parameters by coupling single molecule and ensemble target data},
  series   = {Computer Physics Communications},
  volume    = {274},
  number    = {May 2022},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0010-4655},
  doi       = {10.1016/j.cpc.2022.108285},
  year      = {2022},
  language  = {en}
}