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Publications
Helmholtz Centre Potsdam
GFZ German Research Centre for Geosciences
(Co) Author: Spiekermann, G.
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Spiekermann, G.; Steele-MacInnis, M.; Kowalski, P. M.; Schmidt, C.; Jahn, S. (2012): Vibrational mode frequencies of H4SiO4, D4SiO4, H6Si2O7, and H6Si3O9 in aqueous environment, obtained from ab initio molecular dynamics. The Journal of Chemical Physics, 137, 164506.
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Spiekermann, G.; Jahn, S. (2010): Ab initio molecular dynamics study of single phase SiO2-H2O fluids at supercritical conditions. Geochimica et Cosmochimica Acta, 74, 12, Suppl. 1, A982.
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Jahn, S.; Spiekermann, G.; Dubrail, J.; Kowalski, P. (2012): From fluid speciation to the thermodynamics of fluid-rock interactions: Insights from DFT calculations. 243rd American Chemical Society National Meeting (San Diego, USA 2012), 18278.
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Jahn, S.; Spiekermann, G.; Schmidt, C. (2012): Vibrational properties of liquid and supercritical water: Insights from ab initio molecular dynamics and Raman spectroscopy. 1st European Mineralogical Conference - EMC (Frankfurt/Main, Germany 2012), EMC2012-509.
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Jahn, S.; Haigis, V.; Spiekermann, G. (2011): Structure and properties of CaO-Al2O3-SiO2 melts: Insights from molecular dynamics simulations. 9th Silicate Melt Workshop (La Petite Pierre, France 2011), 40.
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Spiekermann, G.; Steele-MacInnis, M.; Schmidt, C.; Jahn, S. (2011): Mode-projected vibrational analysis and Raman spectra of silica species in aqueous solution using ab initio molecular dynamics. 7th European Conference on Mineralogy and Spectroscopy - ECMS 2011 (Potsdam, Germany 2011), 79.
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Spiekermann, G.; Jahn, S. (2010): SiO2-H2O fluid at supercritical conditions studied by ab initio molecular dynamics. Abstract Book, PSIk-2010 Conference: Ab initio (from the electronic structure) calculations of processes in materials and (bio)molecules (Berlin 2010), 94.
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Spiekermann, G.; Jahn, S. (2010): Supercritical H2O-SiO2 fluid studied by ab initio molecular dynamics. Abstract Book, 88. Jahrestagung der Deutschen Mineralogischen Gesellschaft - From Dust to Dust - (Münster 2010), P11-06.
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Spiekermann, G. (2009): Modeling of silicate melts relevant to the earth's mantle using both classical and ab initio methods. Hands-on tutorial on ab initio molecular simulations: Toward a First-Principles Understanding of Materials Properties and Functions (Berlin, Germany 2009), P41.
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Spiekermann, G. (2012): Structure and properties of SiO2-bearing aqueous fluids and glasses from first principles modeling. 111.
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