• The atomic simulation environment - A Python library for working with atoms 

      Larsen, Ask Hjorth; Mortensen, Jens Jørgen; Blomqvist, Jakob; Castelli, Ivano E.; Christensen, Rune; Dulak, Marcin; Friis, Jesper; Groves, Michael N.; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D.; Jennings, Paul C.; Jensen, Peter Bjerre; Kermode, James; Kitchin, John R.; Kolsbjerg, Esben Leonhard; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Maronsson, Jón Bergmann; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S.; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael N.; Zeng, Zhenhua; Jacobsen, Karsten Wedel (Peer reviewed; Journal article, 2017)
      Abstract The Atomic Simulation Environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simula- tions. In ASE, tasks are fully scripted ...
    • A Roadmap for Transforming Research to Invent the Batteries of the Future Designed within the European Large Scale Research Initiative BATTERY 2030+ 

      Amici, Julia; Asinari, Pietro; Ayerbe, Elixabete; Barboux, Philippe; Bayle-Guillemaud, Pascale; Behm, R. Juergen; Berecibar, Maitane; Berg, Erik; Bhowmik, Arghya; Bodoardo, Silvia; Castelli, Ivano E.; Cekic-Laskovic, Isidora; Christensen, Rune; Clark, Simon; Diehm, Ralf; Dominko, Robert; Fichtner, Maximilian; Franco, Alejandro A.; Grimaud, Alexis; Guillet, Nicolas; Hahlin, Maria; Hartmann, Sarah; Heiries, Vincent; Hermansson, Kersti; Heuer, Andreas; Jana, Saibal; Jabbour, Lara; Kallo, Josef; Latz, Arnulf; Lorrmann, Henning; Løvvik, Ole Martin; Lyonnard, Sandrine; Meeus, Marcel; Paillard, Elie; Perraud, Simon; Placke, Tobias; Punckt, Christian; Raccurt, Oliver; Ruhland, Janna; Sheridan, Edel Maria; Stein, Helge; Tarascon, Jean-Marie; Trapp, Victor; Vegge, Tejs; Weil, Marcel; Wentzel, Wolfgang; Winter, Martin; Wolf, Andreas; Edström, Kristina (Peer reviewed; Journal article, 2022)
      This roadmap presents the transformational research ideas proposed by “BATTERY 2030+,” the European large-scale research initiative for future battery chemistries. A “chemistry-neutral” roadmap to advance battery research, ...