Oral Programme 5d
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5d Computational mineral physics |
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Oral Programme
/ Mon, 03 Sep, 09:45–12:15
/ Room H 12
Poster Programme
/ Attendance Mon, 03 Sep, 17:00–18:30
/ Poster Area
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Monday, 3 September 2012 Room H 12 Chairperson: Sandro Jahn |
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| 09:45–10:00 |
EMC2012-664
Structural transitions in silica at Mbar pressures from ab initio metadynamics (keynote) J. Hreha, L. Hromadová, and R. Martoňák |
| 10:00–10:15 |
EMC2012-259
Thermal conductivity of minerals in the Earth's lower mantle from molecular dynamics V. Haigis, M. Salanne, and S. Jahn |
| 10:15–10:30 |
EMC2012-521
Ab initio assessment of the Mie-Grüneisen equation of state: application to the high thermobaric regimes of the Earth's deep interior D. Belmonte, G. Ottonello, M. Vetuschi Zuccolini, and M.H.G. Jacobs |
| 10:30–10:45 |
EMC2012-173
Computer modeling of the structure and spectral characteristics of rondorfite series minerals M. Dulski, R. Wrzalik, and E. V. Galuskin |
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Coffee Break
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| 11:15–11:30 |
EMC2012-112
Mg/Ca partitioning between aqueous solution and aragonite mineral: a molecular dynamics study S. E. Ruiz Hernandez, R. Grau Crespo, N. Almora Barrios, M. Wolthers, and N.H. de Leeuw |
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SIMP PhD prize winner 2012, A. Zucchini
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| 11:30–11:45 |
EMC2012-37
HP ab-initio study of dolomite compressibility as influenced by cation disordering. A. Zucchini, P. Comodi, S. Nazzareni, and M. Prencipe |
| 11:45–12:00 |
EMC2012-714
Atomistic simulation of solid solutions with heterovalent substitutions Y. G. Yu, V.L. Vinograd, and B. Winkler |
| 12:00–12:15 |
EMC2012-45
Quantum-mechanical simulation of disordered systems: principles and applications to the Andradite-Grossular binary M. De La Pierre, Y. Noël, Ph. D'Arco, and R. Dovesi |