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Computational Materials Scientist - Postdoctoral Researcher

Entry Level | Full-time
Postdoctoral/Fellowship | livermore, CA | 06/18/2021

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Company Description

Join us and make YOUR mark on the World!

Are you interested in joining some of the brightest talent in the world to strengthen the United States’ security? Come join Lawrence Livermore National Laboratory (LLNL) where our employees apply their expertise to create solutions for BIG ideas that make our world a better place.

We are committed to a diverse and equitable workforce with an inclusive culture that values and celebrates the diversity of our people, talents, ideas, experiences, and perspectives. This is essential to innovation and creativity for continued success of the Laboratory’s mission.

Job Description

We have an opening for a Postdoctoral Researcher to work in the field of computational materials science and actively participate in research dedicated to the development of new aluminum alloys for high-temperature applications and magnets with low amounts of strategically critical elements (i.e., structural and functional materials, respectively). You will also be involved in research to assess phase stability, transformation, and reactivity of f-electron based materials (actinides and lanthanides). You will be a creative force in the development and application of thermodynamic databases and computational thermodynamic software based on the CALPHAD method and in the integration of these models / results into an alloy design framework that uses numerical optimization methods to rapidly screen for promising compositions over vast multicomponent phase spaces. This position is in the Actinides and Lanthanides group within the Materials Science Division.

In this role you will

  • Independently develop multicomponent thermodynamic databases for metallic, oxide, and polymer systems.
  • Propose, implement, and test new CALPHAD models on LLNL supercomputers using pycalphad and/or OpenCalphad, and integrate new thermodynamic software into LLNL’s alloy design framework (Materials Design Simulator).
  • Understand and develop uncertainty quantification (UQ) methods for CALPHAD modeling (including experimental and DFT data) and its propagation into ICME approaches.
  • Propose precipitation/solid solution-strengthening models for alloys and integrate into LLNL’s Materials Design Simulator.
  • Generate and maintain a database for phase stability and mechanical properties for select alloys.
  • Interface with experimentalists to validate models and propose directions for both structural alloys and permanent magnets property optimization.
  • Work both independently and collaborate with others in a multidisciplinary team environment to accomplish program goals.
  • Publish research results in peer-reviewed scientific journals and present results at external conferences, seminars, and technical meetings.
  • Perform other duties as assigned.


  • Ability to maintain a U.S. DOE Q-level security clearance which requires U.S. citizenship.
  • PhD in materials science, condensed matter physics, applied math, or a closely related field.
  • Experience and knowledge in at least three of the following areas: CALPHAD, uncertainty quantification and propagation, ICME, additive manufacturing, alloy design.
  • Ability to independently develop massively parallelized codes using Fortran, C/C++, and/or Python.
  • Experience with commercial (Thermo-Calc or Pandat) and open source (pycalphad or OpenCalphad) computational thermodynamics software to perform CALPHAD database development.
  • Knowledge of alloy metallurgy, including thermodynamics, phase stability, phase transformations, defect structures, and kinetics.
  • Proficient verbal and written communication skills as reflected in effective presentations at meetings and a demonstrated strong publication record.
  • Initiative and interpersonal skills with desire and ability to work in a collaborative, multidisciplinary team environment.

Qualifications We Desire

  • Experience with machine learning methods and/or density functional theory.
  • Experience with aluminum alloys and/or magnets and/or f-electron systems.
  • Experience with graded materials and/or polymers.

Additional Information

Why Lawrence Livermore National Laboratory?

  • Included in 2021 Best Places to Work by Glassdoor!
  • Work for a premier innovative national Laboratory
  • Comprehensive Benefits Package
  • Flexible schedules (*depending on project needs)
  • Collaborative, creative, inclusive, and fun team environment

Learn more about our company, selection process, position types and security clearances by visiting our Career site

Security Clearance

LLNL is a Department of Energy (DOE) and National Nuclear Security Administration (NNSA) Laboratory.  Some positions will require a DOE L or Q clearance (please reference Security Clearance requirement above).  If you are selected and a clearance is required, we will initiate a Federal background investigation to determine if you meet eligibility requirements for access to classified information or matter. In addition, all L or Q cleared employees are subject to random drug testing.  An L or Q clearance requires U.S. citizenship.  For additional information please see DOE Order 472.2.

Pre-Employment Drug Test

External applicant(s) selected for this position will be required to pass a post-offer, pre-employment drug test. This includes testing for use of marijuana as Federal Law applies to us as a Federal Contractor.

Pre-Placement Medical Exam

A job related pre-placement medical examination may be required.

Equal Employment Opportunity

LLNL is an affirmative action and equal opportunity employer that values and hires a diverse workforce. All qualified applicants will receive consideration for employment without regard to race, color, religion, marital status, national origin, ancestry, sex, sexual orientation, gender identity, disability, medical condition, pregnancy, protected veteran status, age, citizenship, or any other characteristic protected by applicable laws.

If you need assistance and/or a reasonable accommodation during the application or the recruiting process, please submit a request via our online form

California Privacy Notice

The California Consumer Privacy Act (CCPA) grants privacy rights to all California residents. The law also entitles job applicants, employees, and non-employee workers to be notified of what personal information LLNL collects and for what purpose. The Employee Privacy Notice can be accessed here.

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