Postdoctoral Appointee - Atomistic Materials Modeling

Postdoctoral Appointee - Atomistic Materials Modeling

Sandia National Laboratories is the nation’s premier science and engineering lab for national security and technology innovation.

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.

• 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.

• PhD in materials science, chemistry, physics, or closely related science or engineering field.
• Ability to obtain and maintain a DOE Q‑level security clearance.

• Experience applying atomistic simulation tools (e.g., LAMMPS, VASP, or similar) to challenges in materials science or engineering.
• 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.
• Experience with atomistic modeling of chemical reactions.
• Proficiency in scientific scripting and/or programming (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.

The Computational Materials Science Department applies materials modeling on multiple length scales to accelerate engineering solutions and drive materials discovery and design for Sandia’s missions. Our expertise spans a diversity of materials (including polymers, ceramics, composites, alloys, ferroelectrics, and metal‑organic frameworks) and a breadth of computational methods from density functional theory and molecular dynamics to mesoscale and microstructure‑informed continuum simulations.

Generous vacation, strong medical and other benefits, competitive 401k, learning opportunities, relocation assistance and amenities aimed at creating a solid work/life balance.
Flexible work arrangements (e.g., 9/80, 4/10 compressed workweeks, part‑time work, telecommuting) may be available for many positions.

Applicants must be able to obtain and maintain a DOE Q‑level security clearance, which requires U.S. citizenship. A pre‑employment drug test and background review, including checks of personal references, credit, law enforcement records, and employment/education verifications, will be required. Substance abuse or other indicators of untrustworthiness can lead to denial or termination of clearance.

All qualified applicants will receive consideration for employment without regard…