Fusion Materials Computational Materials Science - Postdoctoral Researcher

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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.

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Pay 

$118,884 Annually

This is the lowest to highest salary we in good faith believe we would pay for this role at the time of this posting.  An employee’s position within the salary range will be based on several factors including, but not limited to, specific competencies, relevant education, qualifications, certifications, experience, skills, seniority, geographic location, performance, and business or organizational needs.

We have an opening for a Computational Materials Science Postdoctoral Researcher to participate in research on the development of refractory high-entropy alloys (RHEAs) for survivability in fusion energy environments. You will be part of an interdisciplinary team focused on designing new alloys with enhanced resistance to radiation-induced swelling and hardening under fusion conditions that combines multi-scale modeling, experiments, and AI. To tackle this challenge, you will be a creative force in the development of an advanced multi-scale modeling framework, integrating First-Passage Kinetic Monte Carlo (FP-KMC), on-lattice KMC, and atomistic methods, aiming to enable atomic-scale predictions of microstructural evolution in complex alloys under irradiation over reactor-relevant timescales.

This position is in the Actinides and Lanthanide Science group within the Materials Science Division.

In this role you will 

• Develop and validate a multiscale simulation framework for radiation-induced defect evolution in complex alloys, focusing on refractory high entropy alloys (RHEAs).
• Implement the framework in parallel simulation codes intended to run on LLNL supercomputers.
• Integrate FP-KMC, on-lattice KMC, and MD methods to achieve atomic-resolution modeling over extended timescales.
• Parameterize defect migration energies from atomistic simulations and incorporate results into KMC simulations.
• Perform MD simulations to predict primary damage cascades and point defect production rates.
• Analyze simulation outputs to predict macroscopic swelling and strain hardening.
• Interface with experimentalists and AI practitioners to validate models and propose directions for alloys property optimization.
• Work both independently and collaborate with others in a multidisciplinary team environment to accomplish program goals.
• Publish research results in peer-reviewed scientific journals and present results at external conferences, seminars, and/or technical meetings.
• Perform other duties as assigned.

• PhD in Materials Science, Condensed Matter Physics, Nuclear Engineering, Computational Science, Applied Math, or a closely related field.
• Demonstrated experience in atomistic simulation methods (e.g., Molecular Dynamics, Kinetic Monte Carlo).
• Ability to independently develop massively parallelized codes using C/C++/Python and proficiency in high-performance computing environments.
• Strong analytical and problem-solving skills.
• Proficient verbal and written communication skills as reflected in effective presentations at meetings and a demonstrated strong publication record.
• Initiative and interpersonal skills with desire and ability to work in a collaborative, multidisciplinary team environment.

Qualifications We Desire

• Experience with multiscale modeling frameworks and integration of multiple simulation methods.
• Familiarity with advanced KMC algorithms for defect evolution and/or discrete event simulations.
• Background in modeling radiation effects in metals or alloys / high entropy alloys.
• Experience in the design of algorithms, development of simulation codes, and their implementation and validation.

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?

• Included in 2025 Best Places to Work by Glassdoor!
• Flexible Benefits Package
• 401(k)
• Relocation Assistance
• Education Reimbursement Program
• Flexible schedules (*depending on project needs)
• Our values - visit https://www.llnl.gov/inclusion/our-values

Security Clearance

None required.  However, 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.) 

National Defense Authorization Act (NDAA)

The 2025 National Defense Authorization Act (NDAA), Section 3112, generally prohibits citizens of China, Russia, Iran and North Korea without dual US citizenship or legal permanent residence from accessing specific non-public areas of national security or nuclear weapons facilities.  The restrictions of NDAA Section 3112 apply to this position.  To be qualified for this position, Candidates must be eligible to access the Laboratory in compliance with Section 3112.

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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If you use a medical device, which pairs with a mobile device, you must still follow the rules concerning the mobile device in individual sections within Limited Areas.  Sensitive Compartmented Information Facilities require separate approval. Hearing aids without wireless capabilities or wireless that has been disabled are allowed in Limited Areas, Secure Space and Transit/Buffer Space within buildings.

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