The atomic simulation environment-a Python library for working with atoms

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

DOI

    Ask Hjorth Larsen, University of Barcelona, Barcelona, Jens Jorgen Mortensen, Condensed Matter Phys & Chem Dept, Tech. Univ. of Denmark, Technical University of Denmark, Jakob Blomqvist, Malmo University Hospital, Ivano E. Castelli, Copenhagen University Hospital, Copenhagen, Rune Christensen, Tech Univ Denmark, Technical University of Denmark, Dept Energy Convers & Storage, Tech. Univ. of Denmark, Technical University of Denmark, Marcin Dulak, Technical University of Denmark, Jesper Deleuran Friis, SINTEF, Michael N. Groves,
  • Bjork Hammer
  • Cory Hargus, Brown University, Eric D. Hermes, Univ Wisconsin, University of Wisconsin Milwaukee, University of Wisconsin System, Dept Phys, Paul C. Jennings, Technical University of Denmark, Peter Bjerre Jensen, Tech Univ Denmark, Technical University of Denmark, Dept Energy Convers & Storage, Tech. Univ. of Denmark, Technical University of Denmark, James Kermode, Warwick Business School, Warwick University, John R. Kitchin, Carnegie Mellon University,
  • Esben Leonhard Kolsbjerg
  • Joseph Kubal, Purdue Univ, Purdue University, Purdue University System, Dept Phys, Kristen Kaasbjerg, Tech Univ Denmark Prod Storvet, Dept Micro & Nanotechnol, Tech. Univ. of Denmark, Technical University of Denmark, Steen Lysgaard, Technical University of Denmark, Jon Bergmann Maronsson, Siminn, Tristan Maxson, Purdue Univ, Purdue University, Purdue University System, Dept Phys, Thomas Olsen, Condensed Matter Phys & Chem Dept, Tech. Univ. of Denmark, Technical University of Denmark, Lars Pastewka, Karlsruhe Institute of Technology, Karlsruhe , Andrew T Peterson, Brown University, Carsten Rostgaard, Netco IT & Business Consulting AS, Jakob Schiotz, Technical University of Denmark, Ole Schutt, ETH Zürich (Swiss Federal Institute of Technology), Mikkel Strange, Technical University of Denmark, Kristian S. Thygesen, Condensed Matter Phys & Chem Dept, Tech. Univ. of Denmark, Technical University of Denmark, Tejs Vegge, Technical University of Denmark, Lasse Vilhelmsen, Michael Walter, Freiburg University, Zhenhua Zeng, Purdue Univ, Purdue University, Purdue University System, Dept Phys, Karsten W. Jacobsen, Technical University of Denmark
Original languageEnglish
Article number273002
JournalJournal of Physics: Condensed Matter
Volume29
Issue number27
Number of pages30
ISSN0953-8984
DOIs
StatePublished - 7 Jun 2017

    Research areas

  • density functional theory, molecular dynamics, electronic structure theory, DENSITY-FUNCTIONAL THEORY, MINIMUM ENERGY PATHS, ELASTIC BAND METHOD, MOLECULAR-DYNAMICS, GENETIC ALGORITHMS, SADDLE-POINTS, ELECTRONIC-STRUCTURE, GLOBAL OPTIMIZATION, CRYSTAL-STRUCTURE, METAL-CATALYSTS

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