Department of Energy Conversion and Storage, Technical University of Denmark, Lyngby, Denmark.
Department of Physics, Technical University of Denmark, Lyngby, Denmark.
SINTEF Materials and Chemistry, Norway.
Interdisciplinary Nanoscience Center (INANO), Department of Physics and Astronomy, Aarhus University, Denmark.
Interdisciplinary Nanoscience Center (INANO), Department of Physics and Astronomy, Aarhus University, Denmark.
School of Engineering, Brown University, Providence, RI, United States.
Theoretical Chemistry Institute, Department of Chemistry, University of Wisconsin-Madison, WI, United States.
Department of Energy Conversion and Storage, Technical University of Denmark, Lyngby, Denmark.
Department of Energy Conversion and Storage, Technical University of Denmark, Lyngby, Denmark.
Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, United Kingdom.
Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, United States.
Interdisciplinary Nanoscience Center (INANO), Department of Physics and Astronomy, Aarhus University, Denmark.
School of Chemical Engineering, Purdue University, West Lafayette, IN, United States.
Department of Micro- and Nanotechnology, Technical University of Denmark, Lyngby, Denmark.
Department of Energy Conversion and Storage, Technical University of Denmark, Lyngby, Denmark.
Síminn, Reykjavík, Iceland.
School of Chemical Engineering, Purdue University, West Lafayette, IN, United States.
Department of Physics, Technical University of Denmark, Lyngby, Denmark.
Institute for Applied Materials - Computational Materials Science, Karlsruhe Institute of Technology, Germany.
School of Engineering, Brown University, Providence, RI, United States.
Department of Physics, Technical University of Denmark, Lyngby, Denmark; Netcompany IT and Business Consulting A/S, Copenhagen, Denmark.
Department of Physics, Technical University of Denmark, Lyngby, Denmark.
Nanoscale Simulations, ETH Zürich, Zürich, 8093, Switzerland.
Department of Physics, Technical University of Denmark, Lyngby, Denmark.
Department of Physics, Technical University of Denmark, Lyngby, Denmark.
Department of Energy Conversion and Storage, Technical University of Denmark, Lyngby, Denmark.
Interdisciplinary Nanoscience Center (INANO), Department of Physics and Astronomy, Aarhus University, Denmark.
Freiburg Centre for Interactive Materials and Bioinspired Technologies, University of Freiburg, Germany.
School of Chemical Engineering, Purdue University, West Lafayette, IN, United States.
Department of Physics, Technical University of Denmark, Lyngby, Denmark.
Institute of Physics Publishing (IOPP), 2017. Vol. 29, no 27, article id 273002
density functional theory, molecular dynamics, electronic structure theory, ASE, Python, simulation, software, DFT