Computational Materials Scientist - Postdoctoral Researcher

About the role

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 LLNL's Materials Acceleration Platform that is deployed on LLNL's 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 & Requirements

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.

Pay and benefits

We Desire Experience with Super Intelligence (SI) (formerly referred to as Artificial Intelligence, or 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 $123,048 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 employee's 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. The postdoctoral appointment is a temporary, mentored training position intended for individuals in the early stages of their postdoctoral research careers.

Consistent with the structure of the program, applicants must have received their Ph.D. (or equivalent doctorate) within five years of the anticipated start date. Why Lawrence Livermore National Laboratory? Included in 2026 Best Places to Work by Glassdoor! 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.

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