Postdoctoral Research Associate | Los Alamos, NM | Los Alamos National Laboratory

Postdoctoral Research Associate

What You Will Do

The Physics and Chemistry of Materials group (T-1) at Los Alamos National Laboratory is seeking qualified applicants for postdoctoral positions. The candidate will be expected to perform outstanding research at the intersection of machine learning, materials science, and chemistry on world leading HPC systems. The members of the T-1 group, who would sponsor the postdoctoral associate, are experts in theory and simulation of materials as well as the application of machine learning techniques to a wide range of problems.

Within the T-1 group, the selected applicant will focus on the development and application of machine learning techniques for the prediction of chemical and material properties. Specifically, this will include both deploying developed methodologies to national security specific challenges as well as developing the next generation of methods for the specific needs of Los Alamos National Laboratory (LANL). Examples of the types of models to be used are Machine Learned Interatomic Potentials (MLIPs) such as MACE, ANI, and HIPPYNN as well as chemical feature-based models such as ChemProp. The applicant will work with a variety of database structures and public and LANL owned data to train and validate these models. Once constructed, the candidate will deploy these models on HPC clusters such as El-Capitan to directly impact LANL mission needs. The applicant will also aid in proposal writing and program development to pursue new solutions to current challenges. Finally, the applicant will lead the preparation of manuscripts and develop conference presentations based on modeling successes demonstrated in the mission space.

What You Need

Minimum Job Requirements:
  • Strong programming skills, notably in Python and deep learning library JAX/Pytorch/Tensorflow,
  • Experience with machine learning models.
  • Demonstrated experience in conducting original scientific research through peer reviewed publication record.
  • Ability to operate autonomously with minimal oversight.
  • Excellent communication skills (both oral and written).
  • A PhD in Computer Science, Applied mathematics, Physics, Chemistry, Materials Science, or related fields, completed within the last five years or soon to be completed.

Desired Qualifications:
  • Experience with High Performance Computing (HPC) or Graphics Processing Unit (GPU) computing.
  • Strong programming skills in C/C++ and/or GPU-centric languages such as CUDA.
  • Experience collaborating with experimental researchers in chemistry and materials science.
  • A collaborative spirit with the aptitude to work synergistically within a multi-disciplinary team.
  • U.S. citizen with willingness to apply for a clearance.

Work Location: The work location for this position is onsite and located in Los Alamos, NM. All work locations are at the discretion of management.

Note to Applicants:

Due to federal restrictions contained in the current National Defense Authorization Act, citizens of the People's Republic of China-including the special administrative regions of Hong Kong and Macau-as well as citizens of the Islamic Republic of Iran, the Democratic People's Republic of Korea (North Korea), and the Russian Federation, who are not Lawful Permanent Residents ("green card" holders) are prohibited from accessing facilities that support the mission, functions, and operations of national security laboratories and nuclear weapons production facilities, which includes Los Alamos National Laboratory.

Where You Will Work

Located in beautiful northern New Mexico, Los Alamos National Laboratory (LANL) is a multidisciplinary research institution engaged in strategic science on behalf of national security. Our generous benefits package includes:
  • PPO or High Deductible medical insurance with the same large nationwide network
  • Dental and vision insurance
  • Free basic life and disability insurance
  • Paid maternity and parental leave
  • Award-winning 401(k) (6% matching plus 3.5% annually)
  • Learning opportunities and tuition assistance
  • Flexible schedules and time off (paid sick, vacation, and holidays)
  • Onsite gyms and wellness programs
  • Extensive relocation packages (outside a 50 mile radius)


Additional Details

Directive 206.2 - Employment with Triad requires a favorable decision by NNSA indicating employee is suitable under NNSA Supplemental Directive 206.2. Please note that this requirement applies only to citizens of the United States. Foreign nationals are subject to a similar requirement under DOE Order 142.3A.

Position does not require a security clearance. Selected candidates will be subject to drug testing and other pre-employment background checks.

New-Employment Drug Test: The Laboratory requires successful applicants to complete a new-employment drug test and maintains a substance abuse policy that includes random drug testing. Although New Mexico and other states have legalized the use of marijuana, use and possession of marijuana remain illegal under federal law. A positive drug test for marijuana will result in termination of employment, even if the use was pre-offer.

Equal Opportunity: Los Alamos National Laboratory is an equal opportunity employer and supports a diverse and inclusive workforce. All employment practices are based on qualification and merit, without regard to race, color, national origin, ancestry, religion, age, sex, gender identity, sexual orientation or preference, marital status or spousal affiliation, physical or mental disability, medical conditions, pregnancy, status as a protected veteran, genetic information, or citizenship within the limits imposed by federal laws and regulations. The Laboratory is also committed to making our workplace accessible to individuals with disabilities and will provide reasonable accommodations, upon request, for individuals to participate in the application and hiring process. To request such an accommodation, please send an email to applyhelp@lanl.gov or call 1-505-665-4444 option 1.

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