Computational Materials Scientist - Postdoctoral Researcher

LLNL; Livermore (CA); On-site; USD 111,000 - 135,000; Full time

Benefits offered by this job

Flexible schedules

Best Places to Work

Job summary

Lawrence Livermore National Laboratory (LLNL) seeks a Postdoctoral Researcher in computational materials science to discover new structural alloys for extreme environments. You will build thermodynamic/kinetic databases, integrate ICME models, and apply optimization to screen vast phase spaces with MEP tools on LLNL HPC.

You will work in the Actinide and Lanthanide Science group within the Materials Science Division, contribute to publications, and collaborate across disciplines.

Qualifications

• Experience with CALPHAD and microstructure and property modeling.
• Uncertainty quantification and propagation in ICME approaches.
• PhD in materials science, metallurgy, condensed matter physics, applied math, or closely related field.
• Experience with CALPHAD software (Thermo-Calc, Pandat, or OpenCalphad).

Responsibilities

• Independently develop multicomponent thermodynamic and kinetic databases for inorganic systems.
• Incorporate ICME microstructure evolution models and property predictions into LLNL’s framework.
• Develop uncertainty quantification and propagation methods into ICME approaches.
• Interface with experimentalists in design of experiment and material development campaigns.
• Publish results in peer‑reviewed journals and present at conferences.
• Secure and maintain a U.S. DOE Q‑level clearance (citizenship required).
• Collaborate in a multidisciplinary team to accomplish program goals.

Skills

CALPHAD

ICME

Machine learning

Uncertainty quantification

Thermodynamics

Education

PhD in materials science or related field

Tools

Thermo-Calc

Pandat

OpenCalphad

PyCalphad

Job description

Computational Materials Scientist - Postdoctoral Researcher

• Full-time
• Organization: Physical and Life Sciences
• Category: Postdoctoral/Fellowship
• Employee Referral Bonus: Not applicable
• Job Code 1: PDS.1 Post-Dr Research Staff 1
• Pre-Employment Drug Test: Required for external applicant(s) selected for this position (includes testing for use of marijuana)
• Pre-Placement Medical Exam: Not applicable
• Security Clearance: Anticipated DOE Q clearance (requires U.S. citizenship and a federal background investigation)
• Position Type: Post Doctoral

Join us and make YOUR mark on the World!

Lawrence Livermore National Laboratory (LLNL) has turned bold ideas into world-changing impact advancing science and technology to strengthen U.S. security and promote global stability.

Our mission spans four critical national security areas nuclear deterrence, threat preparedness, energy security, and multi-domain defense empowering teams to take on the toughest challenges of today and tomorrow. With a culture built on innovation and operational excellence, LLNL is a place where your expertise can make a real impact.

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.
• 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 twoof 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 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.

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 2026Best Places to Work by Glassdoor!
• Flexible schedules (*depending on project needs)

This position requires a Department of Energy (DOE) Q-level clearance.If you are selected, wewill initiate a Federal background investigation to determine if youmeet 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.

Pre-Employment Drug Test

External applicant(s) selected for this position must 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.

Wireless and Medical Devices

Per the Department of Energy (DOE), Lawrence Livermore National Laboratory must meet certain restrictions with the useand/or possession ofmobile devices in Limited Areas. Depending on your job duties, you may be required to work in a Limited Area whereyou are not permitted to have a personal and/or laboratory mobile devicein your possession. This includes, but not limited to cell phones, tablets, fitness devices, wireless headphones, and other Bluetooth/wireless enabled devices.

Ifyou useamedical device, whichpairs with a mobile device,you must still follow the rules concerningthe mobile device in individual sections within Limited Areas. Sensitive Compartmented Information Facilities requireseparate approval. Hearing aids without wireless capabilities or wireless that has been disabled are allowed in Limited Areas, Secure Space and Transit/Buffer Space within buildings.

We are an equal opportunity employer that is committed to providing all with a work environment free of discrimination and harassment. 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.

Reasonable Accommodation

Our goal is to create an accessible and inclusive experience for all candidates applying and interviewing at the Laboratory. If you need a reasonable accommodation during the application or the recruiting process, please use our online form to submit a request.

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