Postdoctoral Research Associate

What You Will Do

Los Alamos National Laboratory (LANL) is seeking several highly motivated candidates for postdoctoral appointments to work with Ping Yang and Enrique R. Batista in the Theoretical Division of Los Alamos National Laboratory. The successful candidate will work in a very dynamic multidisciplinary research team. The positions are in support of several exciting research projects with a focus on f-elements. The topics include data-science driven separation chemistry, fundamental chemical bonding and spectroscopy, and molten salt systems. Particular areas of interest include:

o Chemical bonding and reactivity, spectroscopic signatures of actinide systems using electronic structure methods, including both DFT and wave-function based methods

o Quantum mechanical based semi-empirical methods for heavy elements

o Machine learning for chemistry discovery

The ideal candidate should have a solid knowledge of first-principles quantum chemistry and expertise in areas related to studies of chemical interactions and/or molecular physics (chemical bonding, spectroscopy. Projects can be tailored to combine several aspects, depending on the applicant's strengths and interests.

Candidates may also be nominated for a Director's Fellowship and outstanding candidates may be considered for the prestigious Darleane Christian Hoffman, Richard P. Feynman, J. Robert Oppenheimer, or Frederick Reines Fellowships. Applicants with US citizenship will also be considered for the Metropolis Postdoctoral Fellowship in Computational Physics. For these fellowships, the research scope can be broadened to include any topic of mutual interest.

For general information to the Postdoc Program go to

What You Need

Minimum Job Requirements:

  • Demonstrated ability to carry out independent and collaborative research.
  • Solid understanding of relevant computational methodologies and fundamental chemistry, such as quantum mechanics, statistical mechanics, rate theories
  • Extensive experience with major quantum chemistry and/or condensed phase electronic structure computational packages (e.g. ADF, Gaussian, QChem VASP, etc.).
  • Demonstrated ability to communicate both technically and interpersonally both orally and in writing.

Education: A Ph.D. in Computational Chemistry or Physics, earned within five years of the employment start date.

Desired Qualifications:

  • Experience in developing new simulation methodologies, especially that address challenges relevant to long-time simulations.
  • Experience with developing and applying machine learning approaches for chemical problems
  • Experience with developing or maintaining scientific software.
  • Experience in using large-scale high performance computing resources

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.

Salary: Competitive salaries are based on the date the PhD degree requirements were completed or the degree was awarded. Starting salary for a new graduate is currently $94,500. For more information go to Postdoc Program website at .

Note to Applicants:

  • Applicants must apply online, and should submit a CV and a cover letter. The cover letter should address the minimum job requirements and desired skills of this position, with specific examples from your academic and research experience.
  • Evaluation of applications will commence immediately and continue until the position is filled.
  • Contract Period: 24 months, extension to 36 months possible upon mutual agreement
Where You Will Work

Located in northern New Mexico, Los Alamos National Laboratory (LANL) is a multidisciplinary research institution engaged in strategic science on behalf of national security. LANL enhances national security by ensuring the safety and reliability of the U.S. nuclear stockpile, developing technologies to reduce threats from weapons of mass destruction, and solving problems related to energy, environment, infrastructure, health, and global security concerns.

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 childbirth and parental leave

§ Award-winning 401(k) (6% matching plus 3.5% annually)

§ Learning opportunities and tuition assistance

§ Flexible schedules and time off (PTO 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, 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 or call 1-505-665-4444 option 1.