Computational Materials Scientist Postdoctoral Researcher

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 discovery of new structural alloys for extreme environments. You will be involved in research to implement methods for materials design and process development. You will be a creative force in the integration and application of thermodynamic and kinetic models into an alloy design framework (including material properties models) that uses numerical optimization methods to rapidly screen for promising compositions over vast multi-component phase spaces. This position is in the Actinide and Lanthanide Science group within the Materials Science Division.

In this role you will

• Independently develop multicomponent thermodynamic and kinetic databases for inorganic (metal oxide carbide hydride etc.) systems.
• Incorporate new Integrated Computational Materials Engineering (ICME) microstructure evolution models and resulting property predictions (ranging from analytical to machine learning surrogate models) in LLNLs Materials Acceleration Platform that is deployed on LLNLs High Performance Computing infrastructure.
• Develop uncertainty quantification (UQ) and propagation methods into ICME approaches.
• Interface with experimentalists in design of experiment and material development campaigns.
• 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.

Qualifications :

• Ability to secure and maintain a U.S. DOE Q-level security clearance which requires U.S. citizenship.
• PhD in materials science metallurgy condensed matter physics applied math or a closely related field.
• Experience and knowledge in at least three of the following areas: CALPHAD microstructure and property modeling uncertainty quantification and propagation ICME alloy design design of experiments.
• Demonstrated ability to independently develop or make significant contributions to scientific research software.
• Experience with commercial (Thermo-Calc Pandat or FactSage) or open source (PyCalphad Thermochimica or OpenCalphad) computational thermodynamics software to perform CALPHAD database development.
• Experience in at least two of the following metallurgy topics: thermodynamics phase stability phase transformations defect structures solidification or thermo-mechanical processing.
• 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 artificial intelligence (AI) and/or machine learning (ML) methods.
• Experience with algorithms relevant for materials design and discovery (Bayesian Optimization black-box optimization gradient-based optimization).
• Experience parameterizing or developing numerical methods for thermodynamic and/or kinetic modeling of phase transformations and microstructure evolution (e.g. CALPHAD Kampmann-Wagner numerical method phase field cellular automata Monte Carlo method continuum models).
• Direct experience with alloy synthesis processing and/or characterization; or extensive experience collaborating with experimental colleagues.

Pay Range

$123048 Annually

This is the lowest to highest salary we in good faith believe we would pay for this role at the time of this posting. An employees position within the salary range will be based on several factors including but not limited to specific competencies relevant education qualifications certifications experience skills seniority geographic location performance and business or organizational needs.

Additional Information :

All your information will be kept confidential according to EEO guidelines.

Position Information

This is a Postdoctoral appointment with the possibility of extension to a maximum of three years open to those who have been awarded a PhD at time of hire date.

Why Lawrence Livermore National Laboratory

• Included in 2026 Best Places to Work by Glassdoor!
• Flexible Benefits Package
• 401(k)
• Relocation Assistance
• Education Reimbursement Program
• Flexible schedules (*depending on project needs)
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  This position requires a Department of Energy (DOE) Q-level clearance.  If you are selected we will initiate a Federal background investigation to determine if you meet eligibility requirements for access to classified information or matter. Also all L or Q cleared employees are subject to random drug testing.  Q-level clearance requires U.S. citizenship. 

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  Remote Work :

  No

  
  

  Employment Type :

  Full-time