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Machine-learning Atomistic Modeling of Corrosion Postdoctoral Researcher

Lawrence Livermore National Laboratory
Livermore, California
Closing date
Feb 20, 2022

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Field of specialization
Computers / Computational / Informatics, Materials
Work Function
Job Type
Full time
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Machine-learning Atomistic Modeling of Corrosion Postdoctoral Researcher

Lawrence Livermore National Laboratory

Company Description

Join us and make YOUR mark on the World!

Are you interested in joining some of the brightest talent in the world to strengthen the United States' security? Come join Lawrence Livermore National Laboratory (LLNL) where our employees apply their expertise to create solutions for BIG ideas that make our world a better place.

We are committed to a diverse and equitable workforce with an inclusive culture that values and celebrates the diversity of our people, talents, ideas, experiences, and perspectives. This is essential to innovation and creativity for continued success of the Laboratory's mission.

Job Description

We an opening for a Postdoctoral Research Staff Member in machine learning approaches for corrosion modeling in actinide metal and metal-oxide materials. The primary research thrust of this position involves the creation of machine-learning based potentials for molecular simulation to identify and understand chemical reaction mechanisms of surface adsorbed atmospheric gases. You will help create a multi-scale simulation approach that leverages a combination of quantum calculations, molecular dynamics, and coarse-grained simulations. The technical goals of this work are to utilize novel computational models to help interpret long timescale reaction dynamics observed in experiments on these systems. This position is in the Materials Science Division.

In this role you will

• Perform quantum calculations and machine-learning based model development of high-Z materials and their surface chemistry.

• Calculate of quantum nuclear vibrational effects in bulk and surface properties.

• Document research; publish papers in peer-reviewed journals, and present results within the DOE community and at conferences.

• Pursue independent but complementary research interests and interact with a broad spectrum of scientists internally and externally to the Laboratory.

• Collaborate with scientists in a multidisciplinary team environment to accomplish research goals.

• 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 Physics, Chemistry, Materials Science, or related field.

• Experience in first-principles simulation techniques of condensed phases.

• Experience in programming in C++, Fortran 95, or an equivalent high-level language. Knowledge of a scripting language is a plus.

• Ability to develop independent research projects through publication of peer-reviewed literature.

• Proficient verbal and written communication skills as reflected in effective presentations at seminars, meetings and/or teaching lectures.

• Initiative and interpersonal skills with desire and ability to work in a collaborative, multidisciplinary team environment.

Qualifications We Desire

• Experience in simulations of oxidation, hydriding, or corrosion processes in metallic alloys.

• Experience with the application of machine learning methods to accelerate materials research.

• Experience performing large-scale simulations on high-performance computing environments.

Additional Information

Why Lawrence Livermore National Laboratory?

• Included in 2021 Best Places to Work by Glassdoor

• Work for a premier innovative national Laboratory

• Comprehensive

• Flexible schedules (*depending on project needs)

• Collaborative, creative, inclusive, and fun team environment

Learn more about our company, selection process, position types and security clearances by visiting our

COVID-19 Vaccination Mandate

LLNL demonstrates its commitment to public safety by requiring that all new Laboratory employees be immunized against COVID-19 unless granted an accommodation under applicable state or federal law. This requirement will apply to all new hires including those who will be working on site, as well as those who will be teleworking.

Security Clearance

LLNL is a Department of Energy (DOE) and National Nuclear Security Administration (NNSA) Laboratory. Some positions will require a DOE L or Q clearance (please reference Security Clearance requirement above). If you are selected and a clearance is required, we will initiate a Federal background investigation to determine if you meet eligibility requirements for access to classified information or matter. In addition, all L or Q cleared employees are subject to random drug testing. An L or Q clearance requires U.S. citizenship. For additional information please see

Pre-Employment Drug Test

External applicant(s) selected for this position will be required to 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.

Pre-Placement Medical Exam

A job related pre-placement medical examination may be required.

Equal Employment Opportunity

LLNL is an affirmative action and equal opportunity employer that values and hires a diverse workforce. 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.

LLNS is committed to offering reasonable accommodations during the application and recruiting processes due to a disability. If you need assistance or an accommodation due to a disability, please submit a request via our

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

For full application instructions and position description, visit

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