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Sandia National Laboratories
Albuquerque, New Mexico, United States
11 days ago


Posting Duration:

This posting will be open for application submissions for a minimum of seven (7) calendar days, including the 'posting date'. Sandia reserves the right to extend the posting date at any time.

COVID-19 Vaccination Mandate:

Sandia demonstrates its commitment to public safety in the national interest by requiring that all new hires be fully vaccinated or have an approved medical or religious accommodation before commencing employment. The requirement also applies to those who are telecommuting and working virtually.

Any concerns about the ability to meet this requirement should be directed to HR Solutions at (505) 284-4700.

What Your Job Will Be Like:

We are seeking a hardworking and dedicated Postdoctoral Appointee to perform density functional theory-based calculations and apply machine learning methods to calculated datasets. You will thrive in a team-oriented, multidisciplinary research and development (R&D) group by demonstrating initiative in R&D activities useful for your professional development.

On any given day, you may be called on to:
  • Perform ab initio molecular dynamics simulations
  • Perform data analysis and apply machine learning algorithms to calculated or experimental data sets
  • Write scripts for pre- and post-processing of simulation data
  • Assist in writing research manuscripts
  • Conduct work in a multi-disciplinary team environment with members ranging from experimental to modeling expertise
  • Present results at meetings or conferences

Qualifications We Require:
  • PhD in Chemistry, Materials Science, Chemical Engineering, Physics, or related field and possess a Bachelor's in a science, technology, engineering, or mathematics (STEM) field
  • Experience with density functional theory calculations
  • Ability to obtain and maintain a DOE L-level security clearance

Qualifications We Desire:
  • Modeling of metal-organic framework materials
  • Experience using Python or R
  • Experience using machine learning algorithms and packages including scikit-learn, Tensorflow, Keras, PyTorch, etc
  • Working knowledge in Linux environment or python development environment
  • Excellent people skills with demonstrated ability to perform effectively in a teaming environment
  • Strong publication record as proven by papers in high impact journals
  • Effective interpersonal and oral/written communication skills and the flexibility for effective participation in teams
  • The ability to work independently and self-sufficiently with high reliability and attention to detail as part of a larger team effort
  • Creative problem solving and effective time management skills

A CV/resume that includes a list of publications and contact information for at least three references and a cover letter (2-page maximum) addressing your qualifications for this position and research interests

About Our Team:

The Geochemistry Department has expertise in three areas: 1) molecular-scale modeling, 2) experimental geochemistry, and 3) applied environmental/chemical engineering. We tackle geosciences-related problems with an application for carbon sequestration, unconventional oil and gas recovery, nuclear waste management, and environmental remediation. In addition, we reach beyond the subsurface environment looking at nuclear weapons applications and air-borne contaminant detection and removal. Program focus is currently on chemical effects on fracture initiation and propagation, heterogeneous redox chemistry on clay mineral surfaces, coupled geochemistry and geo-mechanics in shales, and permeable reactive barriers for soil radionuclide remediation. Computing facilities for molecular modeling include a cluster (CPU nodes, GPU nodes) maintained by the Geochemistry Department as well as the Sandia High Performance Computing. In addition, we have 3,000 square feet of laboratory space that includes the following analytical equipment: XRD, FTIR, ICP-MS, ICP-OES, TOF-MS, and SEM.

About Sandia:

Sandia National Laboratories is the nation's premier science and engineering lab for national security and technology innovation, with teams of specialists focused on cutting-edge work in a broad array of areas. Some of the main reasons we love our jobs:
  • Challenging work with amazing impact that contributes to security, peace, and freedom worldwide
  • Extraordinary co-workers
  • Some of the best tools, equipment, and research facilities in the world
  • Career advancement and enrichment opportunities
  • Flexible work arrangements for many positions include 9/80 (work 80 hours every two weeks, with every other Friday off) and 4/10 (work 4 ten-hour days each week) compressed workweeks, part-time work, and telecommuting (a mix of onsite work and working from home)
  • Generous vacations, strong medical and other benefits, competitive 401k, learning opportunities, relocation assistance and amenities aimed at creating a solid work/life balance*

World-changing technologies. Life-changing careers. Learn more about Sandia at:*These benefits vary by job classification.

Security Clearance:

Sandia is required by DOE to conduct a pre-employment drug test and background review that includes checks of personal references, credit, law enforcement records, and employment/education verifications. Applicants for employment need to be able to obtain and maintain a DOE L-level security clearance, which requires U.S. citizenship. If you hold more than one citizenship (i.e., of the U.S. and another country), your ability to obtain a security clearance may be impacted.

Applicants offered employment with Sandia are subject to a federal background investigation to meet the requirements for access to classified information or matter if the duties of the position require a DOE security clearance. Substance abuse or illegal drug use, falsification of information, criminal activity, serious misconduct or other indicators of untrustworthiness can cause a clearance to be denied or terminated by the DOE, resulting in the inability to perform the duties assigned and subsequent termination of employment.


All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, disability, or veteran status and any other protected class under state or federal law.

Job ID: 684557

Internship Information

  • Job ID: 64950186
  • Location:
    Albuquerque, New Mexico, United States
  • Position Title: Postdoctoral Appointee - Density Functional Theory Calculations
  • Company Name For Internship: Sandia National Laboratories
  • Job Function: Aerospace

Please refer to the company's website or internship descriptions to learn more about them.

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