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

Sandia National Laboratories
401(k), relocation assistance
United States, California, Livermore
Apr 09, 2025

Bidder Eligibility:

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.

Employees, excluding student interns, must remain in their current position for one year from their hire date before bidding on a new job. However, the hiring manager may obtain approval to consider a candidate before the one-year requirement is met via the review process. This approval must be secured prior to being interviewed for a posted position. The application of this requirement will not supersede collective bargaining agreements. Please refer to the collective bargaining labor agreements for eligibility requirements for represented bidders.

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://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 (kMC), Molecular Dynamics (MD), Density Functional Theory (DFT) and/or Dislocation Dynamics (DD) to join our interdisciplinary team of scientists and professionals. Technical areas of focus for this position are applying atomic scale simulations (e. g. kMC, MD, DFT) to study problems such as hydrogen embrittlement in various metallic systems, nucleation and growth mechanisms of helium bubbles, desorption kinetics of metal hydrides, microstructure evolution and mechanical properties of aging structural materials. Such work could include developing accelerated kMC codes as well as interatomic potentials in atomistic simulations. Our work strongly couples both experimental and theoretical approaches to provide innovative and robust solutions. You will have the opportunity to interact with experts in diverse fields.

On any given day you may be called on to:



  • Apply fundamental scientific principles in complex material simulations for property estimation and mechanism discovery. This work is expected to lead to the publication of research findings in peer reviewed journal articles and technical reports. Within this work you will have the opportunity to explore modern techniques such as machine learning.


The selected applicant can work a combination of onsite and offsite work. The selected applicant must live within a reasonable distance for commuting to the assigned work location when necessary.

Qualifications We Require:



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

  • Demonstrated experience publishing peer-reviewed journal articles

  • Strong written and communication skills



Qualifications We Desire:



  • Demonstrated technical background in atomic scale modeling

  • Experience in materials physics

  • Modeling hydrogen interactions with materials and radiation damage in 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

  • Utilizing high-performance computing resources to efficiently manage and perform large-scale simulations

  • Atomistic simulation codes (e.g. LAMMPS), and visualization software (e.g. OVITO, VMD)

  • Density Functional Theory codes (e.g. VASP)

  • Dislocation Dynamics experience (e.g. ParaDIS)

  • Optimizing and calibrating of potential parameters (e.g. Mathematica, Dakota)

  • Experience with machine learning

  • Ability to work in a team environment



About Our Team:

Our group performs work primarily in experimental and computational solid mechanics to characterize and predict the mechanical behavior of engineering materials. We specifically target increased understanding of the phenomenology of plasticity, fracture and failure across broad ranges of temperature, strain rate, and environmental conditions. Our numerical investigations span length and time scales from atomistic simulations of fundamental material behavior to continuum simulations of component response. We also develop the necessary numerical methodologies for our material models to be used in large-scale simulations on Sandia's high-performance and exascale computing resources. Our experimental work covers a broad spectrum from discovery to characterization to model validation. We have experimental facilities with capabilities to investigate material behavior at nanometer to meter length scales, ambient and elevated temperatures, and quasistatic to dynamic rates. The combination of computational and experimental researchers in our department fosters a unique environment allowing direct and meaningful collaboration between the disciplines. Motivated by experimental observations, we develop mathematical models to simulate material responses under various loading and environmental conditions. Conversely, observations of simulated material behavior identify gaps in knowledge that drive the development and execution of new experimental techniques and investigations. We support the various missions of the laboratory by continuously advancing the state-of-the-art in assessing and predicting material performance in high-consequence applications.

Posting Duration:

This posting will be open for application submissions for a minimum of seven (7) calendar days, including the 'posting date'. Sandia reserves the right to extend the posting date at any time.

Security Clearance:

This position does not currently require a Department of Energy (DOE) security clearance.

Sandia will conduct a pre-employment drug test and background review that includes checks of personal references, credit, law enforcement records, and employment/education verifications. Furthermore, employees in New Mexico need to pass a U.S. Air Force background screen for access to Kirtland Air Force Base. Substance abuse or illegal drug use, falsification of information, criminal activity, serious misconduct or other indicators of untrustworthiness can cause access to be denied or terminated, resulting in the inability to perform the duties assigned and subsequent termination of employment. Under federal law, citizens and agents of the People's Republic of China, the Islamic Republic of Iran, the Democratic People's Republic of North Korea, and the Russian Federation are generally prohibited from accessing Sandia National Laboratories. Accordingly, such individuals will not be considered for employment unless they are citizens or Lawful Permanent Residents of the United States.

If hired without a clearance and it subsequently becomes necessary to obtain and maintain one for the position, or you bid on positions that require a clearance, a pre-processing background review may be conducted prior to a required federal background investigation. Applicants for a DOE security clearance need to be U.S. citizens. 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.

Members of the workforce (MOWs) hired at Sandia who require uncleared access for greater than 179 days during their employment, are required to go through the Uncleared Personal Identity Verification (UPIV) process. Access includes physical and/or cyber (logical) access, as well as remote access to any NNSA information technology (IT) systems. UPIV requirements are not applicable to individuals who require a DOE personnel security clearance for the performance of their SNL employment or to foreign nationals. The UPIV process will include the completion of a USAccess Enrollment, SF-85 (Questionnaire for Non-Sensitive Positions) and OF-306 (Declaration of for Federal Employment). An unfavorable UPIV determination will result in immediate retrieval of the SNL issued badge, removal of cyber (logical) access and/or removal from SNL subcontract. All MOWs may appeal the unfavorable UPIV determination to DOE/NNSA immediately. If the appeal is unsuccessful, the MOW may try to go through the UPIV process one year after the decision date.

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.

Job ID: 695410

Job Family: 92

Regular/Temporary Position: T

Full/Part-Time Status: F

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