Postdoctoral Appointee - First-Principles Materials Modeling, Onsite

Postdoctoral Appointee - First-Principles Materials Modeling, Onsite

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.

We are seeking a highly motivated post‑doctoral researcher to join a collaborative team focused on first‑principles materials modeling. The successful candidate will utilize density functional theory (DFT) and magnetization dynamics modeling to address challenging problems in materials physics and high‑energy‑density science. This research is centered on the development of equations‑of‑state (EOS), with a specific focus on improving the resolution of electron‑phonon‑magnon coupling.

These efforts support critical DOE‑mission‑relevant applications, ranging from fundamental EOS science to microelectronics. This position offers the opportunity to collaborate with a multidisciplinary team of researchers and to contribute to high‑impact publications and leading scientific conferences.

• You have, or are pursuing, a PhD in Physics, Materials Science, Applied Mathematics, or a closely related science or engineering field. PhD must be conferred within five years prior to employment.
• Experience with DFT/electronic‑structure methods, EOS development, or related material modeling techniques.
• Record of research as demonstrated by publications in peer‑reviewed journals or competitive conference proceedings.
• Ability to obtain and maintain a DOE Q‑clearance (U.S. citizenship required).

• Knowledge of thermodynamic modeling of materials under extreme conditions.
• Experience with plane‑wave or localized‑basis DFT codes.
• Ability to automate high‑throughput calculations.
• Familiarity with spin‑Hamiltonian models, magnetization dynamics, and coupling of magnetic degrees of freedom to lattice motion.
• Strong programming skills in C++ and Python, emphasizing clean, maintainable code, version control, unit testing, and continuous integration.
• Experience running large‑scale simulations on high‑performance compute clusters.

Applicants for employment need to be able to obtain and maintain a DOE Q‑level security clearance, which requires U.S. citizenship. The position may involve a pre‑employment drug test and background review. 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 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.