Postdoctoral Appointee - First-Principles Materials Modeling, Onsite

Sandia National Laboratories; Albuquerque (NM); On-site; USD 70,000 - 100,000; Full time

Job summary

Sandia National Laboratories seeks a highly motivated post‑doctoral researcher to join a collaborative team focused on first‑principles materials modeling.

The successful candidate will use density functional theory (DFT) and magnetization dynamics modeling to address challenging problems in materials physics and high‑energy‑density science, developing EOS with improved electron‑phonon‑magnon coupling resolution.

Qualifications

• 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).

Responsibilities

• Collaborate on first-principles materials modeling focusing on EOS development.
• Address problems in materials physics and high-energy-density science.
• Contribute to high-impact publications and conferences.
• Collaborate with a multidisciplinary team to advance DOE mission-related applications.

Skills

DFT/electronic-structure methods

EOS development

Python

C++

high-performance computing

magnetization dynamics

automation of high-throughput

spin-Hamiltonian models

Education

PhD in Physics

PhD in Materials Science

PhD in Applied Mathematics

Tools

plane-wave DFT codes

localized-basis DFT codes

Job description

Location

Albuquerque, NM

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 401(k), 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://www.sandia.gov

*These benefits vary by job classification.

What Your Job Will Be Like

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. Join our team and make a difference!

Qualifications We Require

• 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).

Qualifications We Desire

• Experience developing wide‑range Equation‑of‑State models.
• 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

About Our Team

The Computational Multiscale Department performs research and development in physics‑based materials modeling and high‑performance computing. We combine expertise across multiple fields to solve science and engineering problems in support of NNSA and DOE missions. Our team brings together authorities in density functional theory, molecular dynamics, direct simulation Monte Carlo, microstructure modeling, continuum mechanics, and equations of state. We lead a number of software development efforts and strive to advance the state of the art in materials modeling through a wide range of collaborations across national laboratories, universities, and industry partners.

Posting Duration

This posting will be open for application submissions for a minimum of three (3) calendar days, including the ‘posting date’. Sandia reserves the right to extend the posting date at any time.

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 Q‑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 DOE, resulting in the inability to perform the duties assigned and subsequent termination of employment.

EEO

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.

NNSA Requirements for MedPEDs

If you have a Medical Portable Electronic Device (MedPED), such as a pacemaker, defibrillator, drug‑releasing pump, hearing aids, or diagnostic equipment and other equipment for measuring, monitoring, and recording body functions such as heartbeat and brain waves, if employed by Sandia National Laboratories you may be required to comply with NNSA security requirements for MedPEDs.

If you have a MedPED and you are selected for an on‑site interview at Sandia National Laboratories, there may be additional steps necessary to ensure compliance with NNSA security requirements prior to the interview date.