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Postdoctoral Researcher – Atomistic Modeling of Materials Degradation

Lawrence Livermore National Laboratory
Livermore, CA Full Time
POSTED ON 4/5/2026
AVAILABLE BEFORE 5/3/2026
Company Description

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.

Job Description

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

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

Additional Information

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)
  • Our values - visit https://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.

Wireless and Medical Devices

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

If you use a medical device, which pairs with a mobile device, you must still follow the rules concerning the mobile device in individual sections within Limited Areas. Sensitive Compartmented Information Facilities require separate 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.

How To Identify Fake Job Advertisements

Please be aware of recruitment scams where people or entities are misusing the name of Lawrence Livermore National Laboratory (LLNL) to post fake job advertisements. LLNL never extends an offer without a personal interview and will never charge a fee for joining our company. All current job openings are displayed on the Career Page under “Find Your Job” of our website. If you have encountered a job posting or have been approached with a job offer that you suspect may be fraudulent, we strongly recommend you do not respond.

To learn more about recruitment scams: https://www.llnl.gov/sites/www/files/2023-05/LLNL-Job-Fraud-Statement-Updated-4.26.23.pdf

Equal Employment Opportunity

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.

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.

Salary : $123,048

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