CP2K: an Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations
Thomas D. Kuehne,Marcella Iannuzzi,Mauro Del Ben,Vladimir V. Rybkin,Patrick Seewald,Frederick Stein,Teodoro Laino,Rustam Z. Khaliullin,Ole Schutt,Florian Schiffmann,Dorothea Golze,Jan Wilhelm,Sergey Chulkov,Mohammad Hossein Bani-Hashemian,Valery Weber,Urban Borstnik,Mathieu Taillefumier,Alice Shoshana Jakobovits,Alfio Lazzaro,Hans Pabst,Tiziano Mueller,Robert Schade,Manuel Guidon,Samuel Andermatt,Nico Holmberg,Gregory K. Schenter,Anna Hehn,Augustin Bussy,Fabian Belleflamme,Gloria Tabacchi,Andreas Gloss,Michael Lass,Iain Bethune,Christopher J. Mundy,Christian Plessl,Matt Watkins,Joost VandeVondele,Matthias Krack,Jurg Hutter JOURNAL OF CHEMICAL PHYSICS（2020）
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