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APS March Meeting 2021

on February 2, 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 + Usc 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)

events

AGU Fall Meeting 2020

on December 20, 2020

December 1th - 17th, 2929 -Online Everywhere

Abstracts presented by the Wentzcovitch Group:

  1. Phase relations in iron monoxides from LDA + Usc calculations
  2. pgm: A Python package for free energy calculation
  3. Cij: A Python package for quasiharmonic thermoelasticity
  4. Express: nonstop calculations with ab initio software
  5. Anharmonic thermodynamic properties of cubic CaSiO3 perovskite from phonon quasiparticles
  6. Spin State and Structural Stability of Ferropericlase up to 30 Mbar
  7. Ab initio prediction of a temperature-induced phase transition in Mg2GeO4
  8. Detection of the spin crossover in ferropericlase in the Earth’s lower mantle; an interdisciplinary approach. (Invited)

Sessions co-organized by Renata Wentzcovitch

MR016 - Mineral Physics: Connecting Mineral Properties to Planetary Models II Posters

Primary Convener

  • Elizabeth Colette Thompson, Sewanee: The University of the South

Conveners

  • Sally June Tracy, Carnegie Institution for Science Washington
  • Han Hsu, NCU National Central University of Taiwan
  • Renata Wentzcovitch, Columbia University
MR027 - Mineral Physics: Connecting Mineral Properties to Planetary Models I

Primary Convener

  • Elizabeth Colette Thompson, Sewanee: The University of the South

Conveners

  • Sally June Tracy, Carnegie Institution for Science Washington
  • Han Hsu, NCU National Central University of Taiwan
  • Renata Wentzcovitch, Columbia University

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