TM First Principles Methods II
FOCUS · C3 ·
Presentations
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\textit{Ab initio} molecular dynamics study of pressure-induced amorphization in sulfur
COFFEE_KLATCH · Invited
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Authors
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Roman Marto\v{n}\'ak
- Comenius University
- Department of Experimental Physics, Comenius University, Bratislava
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Crystal Structure Searching by Free Energy Surface Trekking: Application to Carbon above 1 TPa
ORAL
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Authors
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Takahiro Ishikawa
- Center for Quantum Science and Technology under Extreme Conditions, Osaka University
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Naoshi Suzuki
- Department of Pure and Applied Physics, Faculty of Engineering Science, Kansai University
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Katsuya Shimizu
- Center for Quantum Science and Technology under Extreme Conditions, Osaka University
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Theoretical and Experimental Study of A$_3$B$_5$O$_{12}$ Garnets Under High Pressure
ORAL
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Authors
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Alfonso Munoz
- Departamento de F\'isica Fundamental II, IMN, Universidad de La Laguna, Spain
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Virginia Monteseguro
- Departamento de F\'isica Fundamental, Electr\'onica y Sistemas , Universidad de La Laguna, Spain
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Placida Rodriguez-Hernandez
- Departamento de F\'isica Fundamental II, IMN, Universidad de La Laguna, Spain
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Francisco Javier Manjon
- IDFPA Univ. Polit\`ecnica de Val\`encia. 46022 Val\`encia, Spain
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Victor Lavin
- Departamento de F\'isica Fundamental, Electr\'onica y Sistemas , Universidad de La Laguna, Spain
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Towards a Predictive First-Principles Description of High Pressure Hydrogen with Density Functional Theory
ORAL
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Authors
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Miguel A. Morales
- LLNL
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Jeffrey M. McMahon
- UIUC
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Carlo Pierleoni
- U. L`Aquila
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David M. Ceperley
- UIUC
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Origin of Metallization of FeO at High Temperatures and Pressures from First-principles DFT-DMFT Computations
ORAL
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Authors
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R.E. Cohen
- Geophysical Lab, Carnegie Institution
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Kristjan Haule
- Dept. Phys., Rutgers Univ.
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