December 10th - 14th, 2018 - Washington, DC
Abstracts presented by the Wentzcovitch Group:
- Ab Initio Anharmonic Free Energy from Phonon Quasiparticle: A Versatile and Easy-to-Use Script
- Stability field of δ-AlOOH investigated with ab-initio calculations
qha: A Python package for quasi-harmonic free energy calculation for multi-configuration systems- An extended semi-analytical approach for thermoelasticity of monoclinic crystals: application to diopside
- Effects of Induced Stress on Seismic Waves: Method Validation based on Ab Initio Calculations (Highlighted)
- Evolutionary optimized PAW (
EPAW) data-sets across the periodic table - Ferropericlase phonon dispersions across the spin transition
- Thermodynamic properties of ε-Fe at inner core conditions using T-dependent phonon dispersions
- Mass-dependent Dynamics of Terrestrial Exoplanets Using ab initio Mineral Properties
- Iron isotope fractionation during Earth’s core-mantle segregation