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PhD opening in computational mineralogy at IPGP

RC
Razvan Caracas
Wed, Apr 9, 2025 3:10 PM

Dear colleagues,

I would like to bring to your attention one opening for a PhD in computational mineralogy/physics/chemistry. Can you please spread the word around your potential students? Thank you!

==

PhD opening on « How redox reactions shaped the early Earth’s secondary atmosphere ? »

We are proposing one PhD position to work on the effect of the redox state on the degassing of the magma ocean. In the aftermath of the giant impact, the condensation of the central body, the Earth, is done to a global magma ocean under a thick hot atmosphere. During this period, ongoing chemical reactions, volatile degassing, and interactions with the molten silicates played a crucial role in shaping the Earth's secondary atmosphere. In particular, the degassing of H2 vs H2O or of CO vs CO2 are hugely influenced by the redox state of the magma ocean, ruled by that of iron, Fe2+ vs Fe3+. These interactions are the focus of the proposed study.

To address this, we will employ advanced atomistic simulations, including ab initio molecular dynamics, to investigate the behavior of various vapor phases and their interaction with the cooling magma surface. We will construct machine learning interatomic potentials to scale up our simulations and study these redox-controlled reactions in detail. Finally, we will calculate the energetics of the most representative systems using ab initio methods and thermodynamic integration. Simulations will be conducted on national and European supercomputing facilities.

The successful candidate needs to have a strong background in condensed matter sciences, molecular dynamics, and Python programming. Fluency in English is required. The PhD student will be hosted at the Institute de Physique du Globe de Paris (IPGP). IPGP is a world-renowned geosciences research institute founded in 1921, associated with the CNRS, a component of the Université Paris Cité and employing more than 500 people. The group of Razvan Caracas is highly active in computational mineralogy, study of matter at extreme conditions, and planetary mineralogy. We offer stability, a competitive salary and benefits package, and the opportunity to work in a stimulating and supportive research environment.

For more information and to apply, please contact me directly at caracas@ipgp.fr mailto:caracas@ipgp.fr or following:
https://ed560.ed.univ-paris-diderot.fr/wp-content/uploads/2025/03/ED_STEP_UP_2024_PropositionTE_F-1.doc

===

Best wishes,
Razvan

--
Dr. Razvan Caracas
Senior Researcher
Institut de Physique du Globe de Paris
CNRS, Universite Paris Cite
tel: +33-1-8395-7763
url: https://razvancaracas.info/

Dr. Razvan Caracas
Senior Researcher
Institut de Physique du Globe de Paris
CNRS, Universite Paris Cite
tel: +33-1-8395-7763
url: https://razvancaracas.info/

Dear colleagues, I would like to bring to your attention one opening for a PhD in computational mineralogy/physics/chemistry. Can you please spread the word around your potential students? Thank you! == PhD opening on « How redox reactions shaped the early Earth’s secondary atmosphere ? » We are proposing one PhD position to work on the effect of the redox state on the degassing of the magma ocean. In the aftermath of the giant impact, the condensation of the central body, the Earth, is done to a global magma ocean under a thick hot atmosphere. During this period, ongoing chemical reactions, volatile degassing, and interactions with the molten silicates played a crucial role in shaping the Earth's secondary atmosphere. In particular, the degassing of H2 vs H2O or of CO vs CO2 are hugely influenced by the redox state of the magma ocean, ruled by that of iron, Fe2+ vs Fe3+. These interactions are the focus of the proposed study. To address this, we will employ advanced atomistic simulations, including ab initio molecular dynamics, to investigate the behavior of various vapor phases and their interaction with the cooling magma surface. We will construct machine learning interatomic potentials to scale up our simulations and study these redox-controlled reactions in detail. Finally, we will calculate the energetics of the most representative systems using ab initio methods and thermodynamic integration. Simulations will be conducted on national and European supercomputing facilities. The successful candidate needs to have a strong background in condensed matter sciences, molecular dynamics, and Python programming. Fluency in English is required. The PhD student will be hosted at the Institute de Physique du Globe de Paris (IPGP). IPGP is a world-renowned geosciences research institute founded in 1921, associated with the CNRS, a component of the Université Paris Cité and employing more than 500 people. The group of Razvan Caracas is highly active in computational mineralogy, study of matter at extreme conditions, and planetary mineralogy. We offer stability, a competitive salary and benefits package, and the opportunity to work in a stimulating and supportive research environment. For more information and to apply, please contact me directly at caracas@ipgp.fr <mailto:caracas@ipgp.fr> or following: https://ed560.ed.univ-paris-diderot.fr/wp-content/uploads/2025/03/ED_STEP_UP_2024_PropositionTE_F-1.doc === Best wishes, Razvan -- Dr. Razvan Caracas Senior Researcher Institut de Physique du Globe de Paris CNRS, Universite Paris Cite tel: +33-1-8395-7763 url: https://razvancaracas.info/ -- Dr. Razvan Caracas Senior Researcher Institut de Physique du Globe de Paris CNRS, Universite Paris Cite tel: +33-1-8395-7763 url: https://razvancaracas.info/