Linear-scaling self-consistent field theory based molecular dynamics: application to C60buckyballs colliding with graphite

Author:

Richters Dorothee1,Kühne Thomas D.23

Affiliation:

1. Institute of Physical Chemistry and Center of Computational Sciences, Johannes Gutenberg University Mainz, Mainz, Germany

2. Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry, University of Paderborn, Paderborn, Germany

3. Paderborn Center for Parallel Computing and Institute for Lightweight Design with Hybrid Systems, Paderborn, Germany

Funder

Graduate School of Excellence MAINZ

Carl Zeiss Foundation

European Research Council

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

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