CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

• Kühne, Thomas D. ORCID Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry, Paderborn University, Warburger Str. 100, D-33098 Paderborn, Germany
• Iannuzzi, Marcella ORCID Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
• Del Ben, Mauro Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
• Rybkin, Vladimir V. ORCID Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
• Seewald, Patrick Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
• Stein, Frederick Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
• Laino, Teodoro ORCID IBM Research Europe, CH-8803 Rüschlikon, Switzerland
• Khaliullin, Rustam Z. ORCID Department of Chemistry, McGill University, CH-801 Sherbrooke St. West, Montreal, Quebec H3A 0B8, Canada
• Schütt, Ole Department of Materials, ETH Zürich, CH-8092 Zürich, Switzerland
• Schiffmann, Florian ORCID Centre of Policy Studies, Victoria University, Melbourne, Australia
• Golze, Dorothea ORCID Department of Applied Physics, Aalto University, Otakaari 1, FI-02150 Espoo, Finland
• Wilhelm, Jan Institute of Theoretical Physics, University of Regensburg, Universitätsstraße 31, D-93053 Regensburg, Germany
• Chulkov, Sergey School of Mathematics and Physics, University of Lincoln, Brayford Pool, Lincoln, United Kingdom
• Bani-Hashemian, Mohammad Hossein ORCID Integrated Systems Laboratory, ETH Zürich, CH-8092 Zürich, Switzerland
• Weber, Valéry IBM Research Europe, CH-8803 Rüschlikon, Switzerland
• Borštnik, Urban Scientific IT Services, ETH Zürich, Zürich, Switzerland
• Taillefumier, Mathieu Swiss National Supercomputing Centre (CSCS), ETH Zürich, Zürich, Switzerland
• Jakobovits, Alice Shoshana ORCID Swiss National Supercomputing Centre (CSCS), ETH Zürich, Zürich, Switzerland
• Lazzaro, Alfio HPE Switzerland GmbH, Basel, Switzerland
• Pabst, Hans Intel Extreme Computing, Software and Systems, Zürich, Switzerland
• Müller, Tiziano Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
• Schade, Robert ORCID Department of Computer Science and Paderborn Center for Parallel Computing, Paderborn University, Warburger Str. 100, D-33098 Paderborn, Germany
• Guidon, Manuel Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
• Andermatt, Samuel Integrated Systems Laboratory, ETH Zürich, CH-8092 Zürich, Switzerland
• Holmberg, Nico Department of Chemistry and Materials Science, Aalto University, P.O. Box 16100, 00076 Aalto, Finland
• Schenter, Gregory K. ORCID Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA
• Hehn, Anna Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
• Bussy, Augustin Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
• Belleflamme, Fabian Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
• Tabacchi, Gloria ORCID Department of Science and High Technology, University of Insubria and INSTM, via Valleggio 9, I-22100 Como, Italy
• Glöß, Andreas BASF SE, Carl-Bosch-Straße 38, D-67056 Ludwigshafen am Rhein, Germany
• Lass, Michael ORCID Department of Computer Science and Paderborn Center for Parallel Computing, Paderborn University, Warburger Str. 100, D-33098 Paderborn, Germany
• Bethune, Iain ORCID Hartree Centre, Science and Technology Facilities Council, Sci-Tech Daresbury, Warrington WA4 4AD, United Kingdom
• Mundy, Christopher J. ORCID Physical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA
• Plessl, Christian ORCID Department of Computer Science and Paderborn Center for Parallel Computing, Paderborn University, Warburger Str. 100, D-33098 Paderborn, Germany
• Watkins, Matt ORCID School of Mathematics and Physics, University of Lincoln, Brayford Pool, Lincoln, United Kingdom
• VandeVondele, Joost ORCID Swiss National Supercomputing Centre (CSCS), ETH Zürich, Zürich, Switzerland
• Krack, Matthias ORCID Laboratory for Scientific Computing and Modelling, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland
• Hutter, Jürg Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland

Physical and Theoretical Chemistry

General Physics and Astronomy