Postdoctoral Researcher - Atomistic Modeling of Materials Degradation

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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.

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We have openings for Postdoctoral Researchers to conduct research on multiscale modeling of interfacial reactions of structural and functional materials. Focus areas include predicting transport and chemical reactions at heterogeneous interfaces, mechanical properties, and materials degradation and corrosion susceptibility. You will work closely with a multidisciplinary team in support of projects sponsored by the Laboratory Directed Research and Development program and the Applied Technologies Offices within the Department of Energy (DOE). This position is in the Quantum Simulations Group of the Materials for Emerging Applications & Extreme Conditions Section in the Materials Science Division within the Physical and Life Sciences Directorate.

This position requires full-time on-site presence due to the nature of the work.

You will

• Perform thermodynamic and kinetic analyses of electrochemical reactions at surfaces and interfaces.
• Develop machine learning interatomic potentials to investigate degradation processes of metals and other materials under chemically harsh conditions, including high-temperature molten salt environments.
• Contribute to and actively participate in the conception, design, and execution of research to address defined problems.
• Collaborate with computational and experimental scientists in a multidisciplinary team environment to accomplish research goals.
• Pursue independent but complementary research interests and interact with a broad spectrum of scientists internally and externally to the Laboratory.
• Document research, publish papers in peer-reviewed journals, and present results within the DOE community and at conferences/technical meetings.
• Perform other duties as assigned.

Qualifications

• Must be eligible to access the Laboratory in compliance with Section 3112 of the National Defense Authorization Act (NDAA). See Additional Information section below for details.
• Ph.D. in Materials Science, Chemistry, Physics, or a related field.
• Experience in the application of density functional theory, advanced electronic structure theory and/or mesoscale approaches to simulations of electrochemical reactions.
• Experience performing large-scale molecular dynamics simulations using density functional theory and/or machine learning acceleration approaches.
• Additional experience in at least one of the following methods: modeling of chemical reaction kinetics, free energy sampling, kinetic Monte Carlo simulations, phase-field modeling, reduced order or surrogate model development.
• Ability to work independently on technical tasks, influence technical objectives, to provide in depth analysis, and develop unique technical solutions.
• Ability to develop independent research directions and describe results effectively in published peer-reviewed literature.
• Proficient verbal and written communication skills to collaborate effectively in a team environment, prepare written reports and present and explain technical information.
• Interpersonal skills necessary to interact with a diverse set of scientists, engineers and other technical and administrative staff in a collaborative, multidisciplinary team environment.

Qualifications We Desire

• Experience in developing descriptors for chemical reactions at interfaces using statistical, analytical, or machine learning methods.
• Familiarity with multiscale model development and integrated computational materials engineering (ICME) concepts.
• Prior experience with materials degradation modeling and/or modeling of molten salt corrosion processes.

Pay Range

$123,048 annually

#LI-Onsite

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 2026Best Places to Work by Glassdoor!
• FlexibleBenefits Package
• 401(k)
• Relocation Assistance
• Education Reimbursement Program
• Flexible schedules (*depending on project needs)
• Our values - visithttps://www.llnl.gov/inclusion/our-values

Security Clearance

None required.However, if your assignment is longer than 179 days cumulatively within a calendar year, you must go through the Personal Identity Verification process. This process includes completing an online background investigation form and receiving approval of the background check.

National Defense Authorization Act (NDAA)

The 2025 National Defense Authorization Act (NDAA), Section 3112, generally prohibits citizens of China, Russia, Iran and North Korea without dual US citizenship or legal permanent residence from accessing specific non-public areas of national security or nuclear weapons facilities. The restrictions of NDAA Section 3112 apply to this position. To be qualified for this position, Candidates must be eligible to access the Laboratory in compliance with Section 3112.

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.

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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.

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