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Computational Modeling of Energetic Materials - Postdoctoral Researcher

Entry Level | Full-time
Physical Life Sciences | livermore, CA | 11/08/2023

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Company Description

Join us and make YOUR mark on the World!

Are you interested in joining some of the brightest talent in the world to strengthen the United States’ security? Come join Lawrence Livermore National Laboratory (LLNL) where our employees apply their expertise to create solutions for BIG ideas that make our world a better place.

We are committed to a diverse and equitable workforce with an inclusive culture that values and celebrates the diversity of our people, talents, ideas, experiences, and perspectives. This is important for continued success of the Laboratory’s mission.

Pay Range

$108.840 Annually

Job Description

We have an opening for a Postdoctoral Researcher to conduct research in computational modeling of energetic materials. Research will focus on applying all-atom modeling techniques to predict mechanical, thermal, and chemical kinetics terms for multiphysics models of material response under extreme conditions, including initiation and detonation. Key aspects involve formulating computational models of material response under dynamic loading conditions and developing computational workflows to rapidly characterize dynamic material properties. You will use statistics and machine learning to analyze massive datasets, extract dynamical properties, and screen for correlated properties.  You will be part of an interdisciplinary team that works on making connections between fine-scale (atomistic), mesoscale, and continuum models of highly coupled reactive transport phenomena. Our team utilizes state-of-the-art petascale computing resources at LLNL to perform simulations with billions of atoms.  This position is in the Reaction Dynamics Group within the Energetic Materials & Design (EMD) section of the Materials Science Division, supporting the Energetic Materials Center (EMC).

You will 

  • Contribute to the conception, design, and execution of computational research to address problems in modeling of energetic materials and constituent materials.
  • Conduct all-atom simulations to isolate individual mechanical, thermal, and chemical responses of molecular materials and perform large-scale simulations that capture coupled responses.
  • Interact with theoretical, computational, and experimental staff working to develop multi-scale models of energetic materials.
  • Pursue independent but complementary research interests and interact with a broad range of scientists, both internal and external to the Laboratory.
  • Present formal and informal overviews of research progress at regular meetings.
  • Document research; write and publish papers in peer-reviewed journals, and present results within the DOE community, at working group meetings, and at scientific conferences.
  • Perform other duties as assigned.


  • PhD in chemistry, physics, materials science, chemical engineering, or a related discipline.
  • Experience in performing particle-based (all-atom and/or coarse-grain) simulations of crystals and/or polymers utilizing high-performance computing.
  • Experience in conceiving and implementing new methods, models, and/or analysis approaches applied to particle-based simulations of material dynamics.
  • Experience modeling at least one of the following: mechanics of materials, chemical reaction dynamics, or other activated processes.
  • Proficient verbal and written communication and interpersonal skills as reflected in published peer-reviewed papers, presentations, and/or teaching lectures.
  • Initiative to take on complex problems, with the ability to work both independently and in a collaborative, multidisciplinary team environment.

Qualifications We Desire

  • Experience with modeling of energetic materials, polymers, shock physics, and chemically reactive systems.
  • Experience in multi-scale simulation methodologies and in connecting atomistic simulation results to experiments and continuum-based modeling frameworks.
  • Experience with statistics and machine learning techniques to analyze and screen large datasets.

Additional Information

All your information will be kept confidential according to EEO guidelines.

Position Information

This is a Postdoctoral appointment with the possibility of extension to a maximum of three years, open to those who have been awarded a PhD at time of hire date.

Why Lawrence Livermore National Laboratory?

Security Clearance

None required.  However, this position involves U.S. Export Control; this work must be performed by a U.S. person (U.S. citizen, U.S. lawful permanent resident, U.S. national, or U.S. protected individual (e.g., refugee, asylee)).

If your assignment is longer than 179 days cumulatively within a calendar year, you must go through the Personal Identity Verification process.  This process includes completing an online background investigation form and receiving approval of the background check.  (This process does not apply to foreign nationals.)


Pre-Employment Drug Test

External applicant(s) selected for this position must pass a post-offer, pre-employment drug test. This includes testing for use of marijuana as Federal Law applies to us as a Federal Contractor.

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We are an equal opportunity employer that is committed to providing all with a work environment free of discrimination and harassment. All qualified applicants will receive consideration for employment without regard to race, color, religion, marital status, national origin, ancestry, sex, sexual orientation, gender identity, disability, medical condition, pregnancy, protected veteran status, age, citizenship, or any other characteristic protected by applicable laws.

We invite you to review the Equal Employment Opportunity posters which include EEO is the Law and Pay Transparency Nondiscrimination Provision.

Reasonable Accommodation

Our goal is to create an accessible and inclusive experience for all candidates applying and interviewing at the Laboratory.  If you need a reasonable accommodation during the application or the recruiting process, please use our online form to submit a request. 

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