Conveners and Chairpersons: Masanori Matsui#,*(Univ. of Hyogo), G. David Price (Univ. College London), Lars Stixrude (Univ. of Michigan)
Day and Time |
Type |
First Author |
Communicating Author (Presenter) |
Abstract Title |
Presentation Type |
Abstract-No. |
Thur. July 27 9:00-9:20 |
I |
Taku Tsuchiya | Taku Tsuchiya | Ab initio investigation of post-perovskite phase change | Oral |
90475 |
Thur. July 27 9:20-9:40 |
C |
Feiwu Zhang | Feiwu Zhang | Aluminum-bearing Post-perovskite in the Earth's D | Oral |
90091 |
Thur. July 27 9:40-10:00 |
I |
Ronald Cohen | Ronald Cohen | Computational study of mineral structures and properties | Oral |
90429 |
Thur. July 27 10:00-10:20 |
I |
Lidunka Vocadlo | David Price | Ab initio calculations of the elasticity of deep mantle and core phases. | Oral |
90084 |
Thur. July 27 10:40-11:00 |
C |
Yigang Zhang | Yigang Zhang | A Molecular Dynamics Study of the Equations of State of CaSiO3 Perovskite | Oral |
90594 |
Thur. July 27 11:00-11:20 |
I |
Stephen Parker | Stephen Parker | Atomistic Simulations of Mineral Surface Structure and Stability | Oral |
90404 |
Thur. July 27 11:20-11:40 |
C |
Paul Madden | Sandro Jahn | Atomistic simulation of minerals and melts using advanced interatomic potentials derived from first-principles DFT calculations | Oral |
90624 |
Thur. July 27 11:40-12:00 |
I |
Renata Wentzcovitch | Renata Wentzcovitch | MgSiO3 at conditions of the giants' cores and exoplanets | Oral |
90432 |
Thur. July 27 14:30-14:50 |
C |
Hisako Sato | Hisako Sato | First-Principles Calculation Studies on Mechanical Properties and Pressure-induced Phase Transformations of Kaolin-polytypes | Oral |
90519 |
Thur. July 27 14:50-15:10 |
C |
Claro Sainz-Diaz | Claro Sainz-Diaz | Dehydroxylation of Pyrophyllite by means of ab initio Molecular Dynamics and metadynamics | Oral |
90553 |
Thur. July 27 15:10-15:30 |
I |
Artem Oganov | Artem Oganov | Crystal structure prediction: new methodology and geologically important results | Oral |
90072 |
Thur. July 27 15:30-15:50 |
I |
Lars stixrude | Lars stixrude | Structure and freezing of MgSiO3 liquid in Earth's interior | Oral |
90256 |
Thur. July 27 15:50-16:10 |
C |
Georg Amthauer | Georg Amthauer | The electronic and magnetic structure of Fe-bearing silicates | Oral |
90924 |
Thur. July 27 16:10-16:30 |
C |
Tonci Balic-Zunic | Tonci Balic-Zunic | Geometrical Analysis of Mineral Structures under Compression Using the Centroid Approach | Oral |
90965 |
Thur. July 27 16:30-19:30 |
C |
Masanori Matsui | Masanori Matsui | MD simulated equations of state of sodium chloride and argon | Poster4-1 |
90114 |
Thur. July 27 16:30-19:30 |
C |
Akira Miyake | Akira Miyake | Molecular dynamics simulations of MgSiO3 enstatite and seismic discontinuity in the upper mantle | Poster4-2 |
90290 |
Thur. July 27 16:30-19:30 |
C |
Tadashi Akamatsu | Tadashi Akamatsu | Molecular dynamics simulation of CH4-CO2 mixed hydrates | Poster4-3 |
90402 |
Thur. July 27 16:30-19:30 |
C |
Koichi Momma | Koichi Momma | Molecular dynamics simulation of twin boundaries in quartz | Poster4-4 |
90481 |
Thur. July 27 16:30-19:30 |
C |
Anne-Line Auzende | Alain Baronnet | Atomistic calculations of structural and elastic properties of serpentine (lizardite and antigorite) minerals | Poster4-5 |
90798 |
Thur. July 27 16:30-19:30 |
C |
Taketoshi Taniguchi | Taketoshi Taniguchi | Deformation and fracture of NaAlSiO4 glass with regular arrangement of Al and Si ions using molecular dynamics simulation | Poster4-6 |
90839 |