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Postdoctoral Appointee - Atomistic Materials Modeling

Remote / Online - Candidates ideally in
Albuquerque, Bernalillo County, New Mexico, 87102, USA
Listing for: Sandia Corporation
Part Time, Remote/Work from Home position
Listed on 2026-06-02
Job specializations:
  • Research/Development
    Research Scientist
  • Engineering
    Materials Engineer, Research Scientist
Job Description & How to Apply Below
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 vacation, 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: http://(Use the "Apply for this Job" box below)..gov

* These benefits vary by job classification.

What Your Job Will Be Like

Are you passionate about using computational methods to design new materials and uncover how atomic-scale structure governs materials performance? Our team seeks motivated postdoctoral researchers with expertise in atomistic materials modeling and the curiosity to apply their skills to diverse mission-driven materials challenges.

On any given day, you may be called on to:

* Plan, conduct, and analyze computer simulations of materials behavior at the atomistic scale to deduce materials structure, properties, and parameters.

* Develop and maintain simulation workflows and data-analysis tools to build creative solutions to materials science challenges.

* Visualize, interrogate, and interpret simulation data to identify mechanisms and trends.

* Apply machine learning or artificial intelligence to advance simulation methods, enable high-throughput workflows, or discover structure-property-performance relationships.

* Integrate materials knowledge to formulate research hypotheses, propose and carry out research.

* Work in collaborative team environments on multidisciplinary, technically challenging projects as part of a dynamic research organization.

* Communicate accomplishments and impact by presenting at internationally recognized conferences, publishing in peer-reviewed journals, and engaging with program managers.

This position is eligible for telecommuting and the selected applicant must live within a reasonable distance for commuting to the assigned work location when necessary.

Qualifications We Require

* PhD in materials science, chemistry, physics, or closely related science or engineering field.

* The ability to obtain and maintain a DOE Q-level security clearance.

Qualifications We Desire

* Experience applying atomistic simulation tools (e.g., LAMMPS, VASP, or similar) to challenges in materials science or engineering.

* Relevant materials expertise demonstrated by

* Previous work with one or more materials systems such as structural metals and alloys, polymers and composites, semiconductors, oxides/ceramics, 2D materials, energetic (reactive) materials, or catalytically active materials; or

* Experience modeling interface-dominated phenomena (e.g., grain boundaries, surfaces, phase boundaries); or

* Experience with atomistic modeling of chemical reaction.

* Proficiency in scientific scripting and/or programming (e.g., Python, Matlab, C/C++, Fortran).

* Familiarity with high-performance computing.

* Strong written and verbal communication skills evidenced by a history of publishing original research in peer-reviewed journals and presentations at professional conferences.

* Track record of collaborating with experimentalists and/or computational researchers to advance materials for engineering applications.

* Demonstrated ability to build effective working relationships and develop creative solutions in team environments.

About Our Team

The Computational Materials Science Department applies materials modeling on multiple length scales to accelerate engineering solutions and drive materials discovery and…
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