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Publications
Helmholtz Centre Potsdam
GFZ German Research Centre for Geosciences
(Co) Author: Madden, P. A.
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Jahn, S.; Madden, P. A. (2008): Atomic dynamics of alumina melt: A molecular dynamics simulation study. Condensed Matter Physics, 11, 1(53), 169-178.
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Jahn, S.; Madden, P. A. (2007): Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system. Physics of the Earth and Planetary Interiors, 162, 1-2, 129-139.
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Jahn, S.; Madden, P. A. (2007): Structure and dynamics in liquid alumina: Simulations with an ab initio interaction potential. Journal of Non-Crystalline Solids, 353, 32-40, 3500-3504.
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Krishnan, S.; Hennet, L.; Jahn, S.; Key, T. A.; Madden, P. A.; Saboungi, M.-L.; Price, D. L. (2005): Structure of Normal and Supercooled Liquid Aluminum Oxide. Chemistry of Materials, 17, 10, 2662-2666.
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Jahn, S.; Madden, P. A.; Wilson, M. (2004): Dynamic simulation of the pressure-driven phase transformations in crystalline Al2O3. Physical Review B, 69, 2, 020106.
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Wilson, M.; Jahn, S.; Madden, P. A. (2004): The construction and application of a fully flexible computer simulation model for lithium oxide. Journal of Physics: Condensed Matter, 16, 27, S2795-S2810.
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Jahn, S.; Madden, P. A. (2008): Collective atomic dynamics and relaxation processes in Al2O3 melt. 72nd annual meeting and DPG spring meeting of the Condensed Matter Section and the divisions: Physics Education, History of Physics, Radiation and Medical Physics as well as the working groups, Annual Meeting of the DPG and DPG Spring Meeting of the Condensed Matter Section (Berlin 2008), 278.
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Madden, P. A.; Jahn, S. (2006): Atomistic simulation of minerals and melts using advanced interatomic potentials derived from first-principles DFT calculations. 19th General Meeting of the International Mineralogical Association (Kobe, Japan 2006), 121.
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Jahn, S.; Aguado, A.; Madden, P. A. (2005): Development of transferable interatomic potentials for oxides and silicates using DFT calculations. 15th Annual Goldschmidt Conference (Moscow, Idaho, USA 2005), A508.
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Jahn, S.; Madden, P. A. (2005): Atomic structure and dynamics of alumina melt: A computer simulation study. 69. Jahrestagung der Deutschen Physikalischen Gesellschaft (Berlin 2005), 225.
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Jahn, S.; Aguado, A.; Madden, P. A. (2004): Generation of transferable interatomic potentials for oxide materials from ab initio DFT calculations. CECAM Workshop. First-Principles Simulations: Perspectives and Challenges in Mineral Sciences (Lyon, France 2004), 181-187.
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