APS March Meeting 2019

March 4th - 8th, 2019 - Boston, MA

Abstracts presented by the Wentzcovitch Group:

1. Pre-melting hcp to bcc Transition in Beryllium by First-Principles Phonon Quasiparticle Approach
2. Ab initio study of iron isotope fractionation during Earth’s core-mantle segregation
3. Thermodynamic properties of ε-iron with T-dependent phonons
4. Thermal equation of state of ε-Fe at exoplanetary interior conditions
5. Vibrational spectrum throughout the iron spin crossover in ferropericlase (Mg_1-xFe_xO)$
6. Mass-dependent Dynamics of Terrestrial Exoplanets Using ab initio Mineral Properties (Invited)
7. Ab initio study of water speciation in forsterite
8. Phase relations in δ-AlOOH investigated with ab-initio calculations
9. Spin crossover in iron in lower mantle minerals (Invited)
10. phq: a Fortran code to compute phonon quasiparticle properties and dispersions
11. Evolutionary optimized PAW (EPAW) data-sets across the periodic table
12. qha: A Python package for quasi-harmonic free energy calculation for multi-configuration system

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