Postdoctoral Appointee - Atomistic and Molecular Scale Modeling of Materials, Onsite

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

Job summary

Sandia National Laboratories is seeking a Postdoctoral Appointee to perform atomistic and molecular scale modeling of materials, onsite. You will apply DFT, MD, KMC to study interstitial interactions and microstructure evolution in aging structural materials.

You will collaborate across disciplines, publish in peer‑reviewed journals, and present findings at major venues. This temporary position supports DOE mission and requires onsite work in a secure research environment.

Qualifications

• Ph.D. in a relevant discipline.
• Demonstrated experience publishing peer‑reviewed journal articles.
• Ability to obtain and maintain a DOE Q clearance.

Responsibilities

• Apply atomistic simulations (DFT, MD, kinetic Monte Carlo) to study interstitial interactions with metals in extreme environments.
• Develop models of microstructure evolution and mechanical properties of aging structural materials.
• Present results at national/international meetings and publish research in peer‑reviewed journals.

Skills

Kinetic Monte Carlo

Molecular Dynamics

Dislocation Dynamics

Density Functional Theory

DFT

C++

Python

LAMMPS

VASP

UNIX/Linux

High-Performance Computing

Machine Learning

Education

Ph.D. in Materials Science, Physics, Chemistry, Mechanical or Aerospace Engineering

Tools

LAMMPS

VASP

OVITO

VMD

Job description

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Postdoctoral Appointee -- Atomistic and Molecular Scale Modeling of Materials, 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. 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://www.sandia.gov

*These benefits vary by job classification.

What Your Job Will Be Like:

We are seeking a Postdoctoral Appointee with a focused background in kinetic Monte Carlo, Molecular Dynamics (MD), Dislocation Dynamics (DD), and/or Density Functional Theory (DFT) to join our interdisciplinary team of scientists and professionals. As part of this work, you will apply fundamental scientific principles in complex material simulations for property estimation and mechanism discovery. Examples include oxide formation in various metallic systems, nucleation and growth mechanisms of helium bubbles, as well as hydride formation and stability in irradiated materials. Our work strongly couples both experimental and theoretical approaches to provide innovative and robust solutions. This work is expected to lead to the publication of research findings in peer reviewed journal articles and technical reports.

On Any Given Day, you may be called on to:

Apply atomistic simulations (e.g., DFT, molecular dynamics, kinetic Monte Carlo) to study problems related to interstitial interactions with metals in extreme environments.

Interact with experts in diverse fields to develop models of microstructure evolution and mechanical properties of aging structural materials.

Work independently as well as contribute creatively to team efforts

Present results at national/international meetings and publish research in high‑profile peer‑reviewed journals

Due to the nature of the work, the selected applicant must be able to work onsite.

Qualifications We Require:

Ph.D. in Material Science, Physics, Chemistry, Mechanical or Aerospace Engineering, or related discipline

Demonstrated experience publishing peer‑reviewed journal articles

Ability to obtain and maintain a DOE Q clearance

Qualifications We Desire:

Strong written and communication skills

Ability to work in a team environment

Demonstrated technical background in atomic scale modeling

Experience with materials physics

modeling interstitial interactions with materials

Familiarity with UNIX/Linux operating systems and code development (HPC environments)

Proficiency in modern programming languages such as C++ and Python

Experience with modeling and simulation tools; ability to assess tool capabilities and limitations when selecting and utilizing tools to perform simulations

Skills at utilizing high‑performance computing resources to efficiently manage and perform large‑scale simulations

Experience with atomistic simulation codes (e.g. LAMMPS), and visualization software (e.g. OVITO, VMD)

Experience with DFT codes (e.g. VASP)

Experience with machine learning

About Our Team:

The Materials Physics department performs fundamental research on the structure and properties of materials to support programs in energy research, device physics, materials reliability, and national security. Specific activities include experimental and modeling studies of surface electronic structure and surface atomic structure and dynamics of metals, oxides, low dimensional semiconductors, and adsorbates; atomic‑scale structure and composition analysis of metals, semiconductors, and composites; electrical and optical properties of low‑dimensional semiconductors and optoelectronic devices; and the structural and electrochemical characterization of solid‑state ionic materials. The Department supports internal and external sponsors and government agencies that seek solutions to problems of fundamental scientific inquiry, energy sustainability, and national defense.

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.

Position Information:

This postdoctoral position is a temporary position for up to one year, which may be renewed at Sandia's discretion up to five additional years. The PhD must have been conferred within five years prior to employment.

Individuals in postdoctoral positions may bid on regular Sandia positions as internal candidates, and in some cases may be converted to regular career positions during their term if warranted by ongoing operational needs, continuing availability of funds, and satisfactory job performance.