11 days old

R&D Computer Science - Computational Multiscale Research

Albuquerque, NM 87102
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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.


Are you looking to be a member of a highly motivated computational research team? We are seeking an experienced research scientist for a position in the areas of multiscale materials modeling, molecular dynamics, machine learning, and high-performance scientific computing. You will address challenges in enabling efficient use of new DOE exascale supercomputers by our LAMMPS molecular dynamics (MD) code and in using MD and electronic structure modeling to solve challenging problems in computational materials science. This position provides the opportunity to collaborate with a diverse set of colleagues including researchers from your own field, applications specialists, and others, and to engage with the broader research community through publications and participation in leading scientific conferences. You'll work with export-controlled information which requires U.S. Person status. Join our team of scientists and researchers and make a difference!

The Computer Science Research Institute (CSRI) is committed to nurturing a culture compatible with a broad group of people and perspectives in accordance with the changing makeup of the workforce. In support of this vision, CSRI actively recruits applicants from a diverse set of backgrounds and fosters an inclusive community.


+ You hold a PhD in Physics, Chemistry, Mathematics, Chemical Engineering, Materials Science, Computer Science, or related science or engineering field, and possess a Bachelors degree in science, technology, engineering, or mathematics (STEM)
+ A minimum of 5 years of post-educational experience in research, development, and software implementation of atomistic simulation methods, primarily molecular dynamics
+ Experience with the LAMMPS software package (http://lammps.sandia.gov)
+ Experience in high-performance scientific computer programming, including thread-parallel programming for GPUs
+ Record of research as demonstrated by publications in peer-reviewed journals or competitive conference proceedings

Due to U.S. export-control laws, only U.S. Persons (U.S. citizens, lawful permanent residents, asylees, or refugees) are eligible for consideration


+ Experience using and developing machine-learned models (neural networks, kernel methods, etc.) and mathematical/computational theory of AI/ML
+ Experience with electronic structure codes such as Gaussian, NWChem, or VASP
+ Proficiency in C++ and python software development, code verification, and modern software quality practices
+ Experience with developing and running complex science and engineering codes on massively parallel computing clusters, including GPU+CPU hybrid platforms
+ A dedication to encouraging an inclusive culture, as demonstrated in your application materials
+ Ability to acquire and maintain a DOE security clearance

Department Description:

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 the DOE mission. Our team brings together authorities in density functional theory, molecular dynamics, kinetic Monte Carlo, direct simulation Monte Carlo, microstructure modeling, continuum mechanics, equations of state, and peridynamics. We lead a number of software development efforts, including the LAMMPS molecular dynamics code and the FitSNAP machine learning interatomic potential software, and strive to advance the state of the art in materials modeling through a wide range of collaborations across the laboratories.

About Sandia:

Sandia National Laboratories is the nations 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 withamazingimpact 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 schedules, generous vacations,strongmedical 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.

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.

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 Statement:

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.


This Limited Term Employee (LTE) position is a temporary position for one year term, which may be renewed at Sandia's discretion up to a maximum of seven years.

Individuals in LTE 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.



  • Engineering
Posted: 2020-11-19 Expires: 2020-12-20

 World-changing technologies. Life-changing careers.

National security is our business. We apply science to help detect, repel, defeat, or mitigate threats.

For more than 60 years, Sandia has delivered essential science and technology to resolve the nation's most challenging security issues.

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R&D Computer Science - Computational Multiscale Research

Sandia National Laboratories
Albuquerque, NM 87102

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