APS March Meeting 2021

March 15th - 19th, 2021 - Online

Abstracts presented by the Wentzcovitch Group:

1. M19.00002 - Prediction of a temperature-induced phase transition in Mg₂GeO₄ by first principles
2. M19.00004 - Prediction of crystal structures and motifs in the Fe-Mg-O system under Earth’s core pressures
3. M19.00006 - Phase relations in iron monoxides from LDA + U_sc calculations
4. M19.00008 - Spin state and structural stability of ferropericlase up to 3 Mbar
5. M19.00009 - Iron oxide motifs and structures from 0.1 to 3 TPa
6. M19.00010 - Anharmonic thermodynamic properties of cubic CaSiO₃ perovskite from phonon quasiparticles
7. M19.00011 - Prediction of Fe-Mg and Fe-Mg-O compounds at exoplanetary interior pressures
8. P19.00001 - Cij: A Python code for thermoelasticity
9. P19.00003 - pgm: A Python package for free energy calculation
10. P19.00008 - Express: nonstop calculations with Quantum ESPRESSO
11. V20.00009 - Thermal Conductivity of CaSiO₃ Perovskite at Lower Mantle Conditions (Invited)

Workshop for the US-Africa Initiative in Electronic Structure

A virtual mini-workshop at the 2021 APS March Meeting, Sunday March 14, 2021, 8am - 12pm Central Daylight Time.

USAfrI Speakers

• Omololu Akin-Ojo, East African Institute for Fundamental Research
• Sinead Griffin, Lawrence Berkeley National Laboratory
• Richard Martin, University of Illinois and Stanford University
• Renata Wentzcovitch, Columbia University

Posters presented by the Wentzcovitch Group:

1. Research and APS March Meeting presentations − Wentzcovitch et al.
2. cij: A Python code for quasiharmonic thermoelasticity
3. pgm: A Python package for free energy calculation
4. Software Advances for Mineral Physics Applications (SAMPA)

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