International Workshop on Recent Developments in Electronic Structure Methods (ES22)

Hosted by Columbia University and the Flatiron Institute, May 31 - June 3, 2022

Organized by Renata Wentzcovitch, David Reichman, Raquel Queiroz, Timothy Berkelbach, Johannes Flick, hosted by Columbia University and Flatiron Institute

Link to the Workshop.

Abstracts presented by Wentzcovitch group

1. Poster - Ab initio calculation of third-order elastic constants
2. Poster - Spin State and Structural Stability of Ferropericlase up to 30 Mbar
3. Poster - pgm: A Python package for free energy calculation
4. Poster - A systematic DFT study of thermal properties of several minerals using ab initio workflows
5. Poster - Anharmonic thermodynamic properties and phase boundary across the post-perovskite transition in MgSiO3
6. Poster - Spin crossover in ferropericlase: beyond ideal solid solution model
7. Poster - The post-perovskite transition in Fe- and Al-bearing bridgmanite