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Visiting Research Specialist - Civil, Materials & Environmental Engineering (Job ID #166002)
Engineering
Academic Professional
Chicago
06/30/2022

The Accelerated Materials Research Laboratory (AMRL) in the Department of Civil and Materials Engineering, University of Illinois at Chicago is seeking a research associate with strong background in molecular dynamics simulations and first-principles calculations with some experience in force field validation and improvement activities. This project is focused on materials design and multiscale science connections related to reactions, transport, and phase transition phenomena at metal, oxide, and polymer interfaces.

A Ph.D. in appropriate engineering or physical science discipline closely related to this area of research is required. Responsibilities include developing models and working with experimental research groups involved in the project from University of Illinois and Argonne National Laboratory. The position will be annually renewable with strong chance for growth and opportunities to interact with multiple industry and government laboratories. We are interested in people with availability as early as possible and have strong background in physical science and fundamental principles molecular and inorganic materials.

  1. Molecular Dynamics: Background in large scale classical molecular dynamics simulations and training of force field with understanding of polymeric and/or crystalline materials
  2. First-principles modeling: Ability to use and analyze density functional theory calculated simulations under high-pressure/temperature and shear-induced change
  3. Discrete element and fluid dynamics: Background in open-source platforms in discrete elements, fluid dynamics, or phase field simulations, and development of numerical models
  4. Machine Learning: Good grasp of any of the common Python based machine learning libraries and ability to work in GPU environment for scaling ML methods
  5. Develop multiscale connections in materials, phase diagrams, chemistry and evolution of material systems using density functional theory and molecular dynamics simulations
  6. Perform research activities including setting up simulations, analyzing data, and providing periodic reports
  7. Assist in the planning, implementation, and evaluation of research projects including identifying project tasks, task assignment, timeline development, monitoring the progress of tasks, and preparing and analyzing activity reports
  8. Develop multiscale chemical dynamics and mechanical coupling schemes with other researchers
  9. Present research results through reports, technology demonstrations, conference presentations, and the publication of scientific papers, where warranted and desired
  10. Assume additional appropriate related research duties to further the mission of AMRL
  • PhD degree in physics, chemistry, materials science, chemical engineering and related disciplines
  • Detailed knowledge of molecular dynamics simulation methods with specialization developing high impact results and strong connections to first-principles methods
  • A detailed knowledge on materials science of polymers, coatings, alloys and compounds, material databases, ICME approaches and related theory
  • Background in running standard DFT codes such as VASP, Quantum Espresso, Ab Init in high-performance computing environment
  • Demonstrated proficiency in all forms of communication, along with solid time management, teamwork and organizational skills

Preferred Qualifications

  • Strong background in parallel computing, and programming in python, C++ or related language
  • Experience with accelerated molecular dynamics methods including replica dynamics, thermodynamics sampling of trajectories, kinetic Monte Carlo simulation of non-equilibrium conditions
  • Strong background in inner working of LAMMPS MD simulation package
  • Ability to write scripts for automation of tasks and handle large data sets
  • Exposure to both reactive and non-reactive force fields, and improving force field descriptions
  • Strong knowledge of theory: thermodynamics, phase transition, transport and statistical mechanics based methods
  • Publications in peer-reviewed scientific journals and conference presentations and/or patents

 

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The University of Illinois at Chicago is an affirmative action, equal opportunity employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, gender identity, sexual orientation, national origin, protected veteran status, or status as an individual with a disability.


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