Visiting Student - NST - Nosirova, Madinabonu - 4.21.26

Argonne National LaboratoryLemont, IL

About The Position

The visiting student will develop scale-free corrections to standard electromechanics simulations in 2D Materials. To this end, the student will perform atomistic calculations based on density functional theory and density functional perturbation theory of transition metal dichalcogenides and Group IV monochalcogenides. The student will use differential geometry and phase field methods to account for the geometric corrections of point and extended defects near the crumbling transitions. Student will leverage atomistic and mesoscale surrogates for the elastic and ferroic properties, including but not limited to equivariant models for the Born effective charges and interatomic forces.

Requirements

  • Bachelor Degree in Physics, Chemistry, Materials Science or a directly related field
  • Familiarity with high performance computing environments
  • Knowledge of Condensed Matter Theory, Quantum Mechanics
  • Currently enrolled in undergraduate or graduate studies at an accredited institution
  • Graduated from an accredited institution within the past 3 months
  • Actively enrolled in a graduate program at an accredited institution
  • Must be 18 years or older at the time the appointment begins
  • The entirety of the appointment must be conducted within the United States

Nice To Haves

  • Familiarity with coding, possibly with Python language

Responsibilities

  • Develop scale-free corrections to standard electromechanics simulations in 2D Materials
  • Perform atomistic calculations based on density functional theory and density functional perturbation theory of transition metal dichalcogenides and Group IV monochalcogenides
  • Use differential geometry and phase field methods to account for the geometric corrections of point and extended defects near the crumbling transitions
  • Leverage atomistic and mesoscale surrogates for the elastic and ferroic properties, including but not limited to equivariant models for the Born effective charges and interatomic forces
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