Van-Quan VUONG 1, 2, 3, Balint ARADI 4, Anders M.N. NIKLASSON 5, Qiang CUI 1, 6, Stephan IRLE 7
1 Department of Chemistry, Boston University, Boston, Massachusetts, United States
2 Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee, United States
3 Institute of Physical Chemistry, Karlsruhe Institute of Technology, Karlsruhe, Germany
4 Bremen Center for Computational Materials Science, Universität Bremen, Bremen, Germany
5 Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico, United States
6 Department of Physics & Department of Biomedical Engineering, Boston University, Boston, Massachusetts, United States
7 Computational Sciences & Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States
