@Article{travis_cit_429, author = {T. D. Kühne and M. Iannuzzi and M.Del Ben and V. V. Rybkin and P. Seewald and F. Stein and T. Laino and R. Z. Khaliullin and O. Schütt and F. Schiffmann and D. Golze and J. Wilhelm and S. Chulkov and M. H. Bani-Hashemian and V. Weber and U. Borštnik and M. Taillefumier and A. S. Jakobovits and A. Lazzaro and H. Pabst and T. Müller and R. Schade and M. Guidon and S. Andermatt and N. Holmberg and G. K. Schenter and A. Hehn and A. Bussy and F. Belleflamme and G. Tabacchi and A. Glöß and M. Lass and I. Bethune and C. J. Mundy and C. Plessl and M. Watkins and J. VandeVondele and M. Krack and J. Hutter}, title = {CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations}, journal = {J. Chem. Phys.}, year = {2020}, volume = {152 (19)}, pages = {194103}, doi = {10.1063/5.0007045} }