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

### Abstracts presented by the Wentzcovitch Group:

- Pre-melting hcp to bcc Transition in Beryllium by First-Principles Phonon Quasiparticle Approach
- Ab initio study of iron isotope fractionation during Earth’s core-mantle segregation
- Thermodynamic properties of ε-iron with T-dependent phonons
- Thermal equation of state of ε-Fe at exoplanetary interior conditions
- Vibrational spectrum throughout the iron spin crossover in ferropericlase (Mg
_{1-x}Fe_{x}O)$ - Mass-dependent Dynamics of Terrestrial Exoplanets Using ab initio Mineral Properties
**(Invited)** - Ab initio study of water speciation in forsterite
- Phase relations in δ-AlOOH investigated with ab-initio calculations
- Spin crossover in iron in lower mantle minerals
**(Invited)** `phq`

: a Fortran code to compute phonon quasiparticle properties and dispersions- Evolutionary optimized PAW (
`EPAW`

) data-sets across the periodic table `qha`

: A Python package for quasi-harmonic free energy calculation for multi-configuration system