Postdoctoral Researcher in First Principles Methods | Los Alamos, NM | Los Alamos National Laboratory

Postdoctoral Researcher in First Principles Methods

What You Will Do

The Physics and Chemistry of Materials group of the Theoretical Division (T-1) of Los Alamos National Laboratory is seeking candidates for a postdoctoral position. Areas of research include density functional theory (DFT) development and application, and materials modeling. Applications include simulations of condensed matter, complex fluids, warm dense matter, and dense plasmas. Ultimately this work will be applied to thermodynamic modeling of matter, including equation of state and transport properties.

Candidates are sought for the development and application of next generation quantum simulation tools, including:

• Kohn-Sham and orbital-free DFT methods

• Numerical optimization methods

• Associated algorithms for massively-parallel hybrid compute architectures

• Statistical and uncertainty modeling

• Development of analysis tools for materials properties

What You Need

Minimum Job Requirements:

Demonstrated expertise with one or more of the following fields:
  • Electronic structure theory (DFT)
  • Statistical mechanics and thermodynamics
  • Scientific computing and programming
  • Experience with the packages such as Quantum Espresso, VASP, or Abinit is highly desired.
  • Experience with Python, Fortran, and MPI is highly desired.


Candidates must have received a Ph.D. in Physics, Chemistry, Applied Mathematics, Computer Science, Materials Science, or an equivalent field within the last 5 years.

Desired Qualifications:
  • knowledge of DFT pseudopotentials including generation
  • experience with all-electron DFT codes, for example WIEN2k, RSPt
  • experience with equation of state modeling

Location: This position will be located in Los Alamos, NM.

COVID Vaccine:

The COVID vaccine is mandatory for all Laboratory employees, on-site contractors, and on-site subcontractors unless granted an accommodation under applicable state or federal law. This requirement will apply to those working on-site, those teleworking, and all new hires.

Note to Applicants:

Candidates may be considered for a Director's Fellowship and outstanding candidates may be considered for the prestigious J. Robert Oppenheimer, Richard P. Feynman, or Frederick Reines Fellowships. For general information about the application processes and LANL fellowships refer to the LANL Postdoctoral Program page.
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 childbirth 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
No Clearance: 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.
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 or call 1-505-665-4444 option 1.Employment StatusFull Time