Function and Responsibilities:

Guest Scientist   

Atomistic Modeling of 🌍Materials Group ⚛️💻🌍Mats👩‍💻👨‍💻

📧 mari_nv(at)gfz-potsdam.de

Research Interests:

My research makes use of first-principles or ab initio calculations, that is, quantum-mechanical computations based only on elemental physical constants of nature such as the electron charge, atomic masses, etc., with the main objective of understanding and describing physical and chemical properties of a variety of materials studied because of their fundamental interest, their relevance in technological applications, and their importance for Earth and planetary modelling. Currently my investigations focus on:

1) First-principles methods addressing structural, electronic, magnetic, elastic and vibrational properties of pure phases and solid solutions of naturally occurring materials (minerals) in order to elucidate the present state and evolution of the Earth and other planets and exoplanets.

2) Identification of precise features that control the functionalities of complex materials for specific technological applications and the design of new ones.

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If you are interested in joining my theory/modeling group, there will be an opportunity for a doctoral position in the near future, keep checking for updates.

Please contact me if you have a strong background in physics, chemistry, or relevant field and are interested in joining as an undergraduate, master, doctoral or postdoctoral researcher, or for an internship, and wish to submit a proposal/application related to “atomistic modeling of 🌎materials” for funding to programs sponsored by DAAD, Fulbright, DFG, etc.

Career:

Education:

* Ph.D. Physics (Condensed Matter Theory). University of Minnesota-Twin Cities (11/2011) 
  Thesis: Structural and Elastic Properties of Fe-Bearing Mg2SiO4 Polymorphs at High Pressures and Temperatures: A First-Principles Study

* M.S. Theoretical High Energy Physics. University of Minnesota-Twin Cities (08/2009) 
  Paper: Bogomolny-Prasad-Sommerfield (BPS) Black Holes

* M.S. Nuclear Physics. National Autonomous University of Mexico (UNAM) ( 04/2004) 
  Thesis: Baryonic States in a Schematic Model of Constituent Quarks and Gluons

Projects:

* 01/05/2020-30/04/2021 Ab  initio modeling of materials inspired for and by georesources under high pressure II. 

  - Proposal submitted & approved for computing time for the JUWELS supercomputer, Jülich Supercomputing Centre (JSC).

  - Doctoral advisee: Artem Chmeruk (supported by my Helmholtz Association W2-funding).

  - GFZ Experimental collaborators: Dr. Sergio Speziale

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* 01/05/2019-30/04/2020 Ab  initio modeling of materials inspired for and by georesources under high pressure I. 

  - Proposal submitted & approved for computing time for the JUWELS supercomputer, Jülich Supercomputing Centre (JSC).

  - Postdoctoral advisee: Dr. Johannes Wagner (supported by my Helmholtz Association W2-funding).

  - GFZ Experimental collaborators: Dr. Sergio Speziale and Dr. Ilias Efthimiopoulos. 

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* 01/05/2017-30/04/2018 Modeling of Earth-related materials. 

  - Proposal submitted & approved for computing time for the JURECA and JUWELS supercomputer, Jülich Supercomputing Centre (JSC). 

  - GFZ Experimental collaborators: Prof. Monika Koch-Müller, Dr. Ilias Efthimiopoulos, Dr. Sergio Speziale, and Dr. Hans-Josef Reichmann.

Awards:

• 2020 1.5 million core-h of computing time granted by the John von Neumann Institute for Computing (NIC) and provided on the supercomputer JUWELS at Jülich Supercomputing Centre (JSC) under project ID "abinitiomodmatsgeo" (Ab  initio modeling of materials inspired for and by georesources under high pressure II), 01.05.2020-30.04.2021.
• 2019 0.8 million core-h of computing time granted by the John von Neumann Institute for Computing (NIC) and provided on the supercomputer JUWELS at Jülich Supercomputing Centre (JSC) under project ID "abinitiomodmatsgeo" (Ab  initio modeling of materials inspired for and by georesources under high pressure), 01.05.2019-30.04.2020.
• 2018 1 million core-h of computing time granted by the John von Neumann Institute for Computing (NIC) and provided on the supercomputer JURECA and JUWELS at Jülich Supercomputing Centre (JSC) under project ID HPO240 (Modeling of Earth-related materials), 01.05.2018-30.04.2019.
• 2017 0.5 million core-h of computing time granted by the John von Neumann Institute for Computing (NIC) and provided on the supercomputer JURECA at Jülich Supercomputing Centre (JSC) under project ID HPO240 (Modeling of Earth-related materials), 01.05.2017-30.04.2018.
• 2016 Helmholtz Association of German Research Centres e.V. W2/W3-programme for excellent female scientists, W2 funding winner (Nov 30, 2016).
• 2015 “5top100” Research Fellowship, Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, Russia.
• 2010 Scholarship Award, Cooperative Institute for Dynamic Earth Research (CIDER) Summer School, Kavli Institute for Theoretical Physics (KITP), University of Santa Barbara, CA, USA.
• 2009 Outstanding Student Paper Award, Mineral and Rock Physics, 2009 American Geophysical Union (AGU) Fall meeting, USA.
• 2008 Summer Fellowship Award: Prospects in Theoretical Physics. “Strings and Phenomenology”, Institute for Advance Study, Princeton, NJ, USA.
• 2007 Summer Fellowship Award: Prospects in Theoretical Physics. “The Standard Model and Beyond”, Institute for Advance Study, Princeton, NJ, USA.
• 2006 Excellence in Teaching Award, School of Physics and Astronomy, University of Minnesota, USA.
• 2003 Gabino Barreda Medal (best physics student), National Autonomous University of Mexico.