Physics World
Fusion Materials Computational Materials Science - Postdoctoral Researcher
Physics World, Livermore, California, United States, 94551
Overview
Fusion Materials Computational Materials Science - Postdoctoral Researcher at Physics World. The role is with Lawrence Livermore National Laboratory (LLNL) in the Actinides and Lanthanide Science group within the Materials Science Division. The position focuses on the development of refractory high-entropy alloys (RHEAs) for survivability in fusion energy environments, combining multi-scale modeling, experiments, and AI to enable atomic-scale predictions of microstructural evolution under irradiation. Responsibilities
Develop and validate a multiscale simulation framework for radiation-induced defect evolution in complex alloys, focusing on RHEAs. Implement the framework in parallel simulation codes for 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 alloy property optimization. Work independently and with collaborators in a multidisciplinary team to achieve program goals. Publish research results in peer-reviewed journals and present at external conferences, seminars, and technical meetings. Perform other duties as assigned. Qualifications
PhD in Materials Science, Condensed Matter Physics, Nuclear Engineering, Computational Science, Applied Math, or related field. Experience with atomistic simulation methods (e.g., Molecular Dynamics, Kinetic Monte Carlo). Ability to develop massively parallelized codes using C/C++/Python and experience with high-performance computing environments. Strong analytical and problem-solving skills. Proficient verbal and written communication skills with a record of publications. Initiative and ability to work in a collaborative, multidisciplinary team. Desirable Qualifications
Experience with multiscale modeling frameworks and integration of multiple simulation methods. Familiarity with advanced KMC algorithms for defect evolution or discrete event simulations. Background in modeling radiation effects in metals or alloys/high-entropy alloys. Experience in algorithm design, development of simulation codes, implementation, and validation. Position Information
This is a Postdoctoral appointment with potential extension up to three years. Applicants must have been awarded a PhD by the time of hire. Why LLNL
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 and inclusion information available at LLNL website Security and Compliance
None required for clearance; if assignment exceeds 179 days in a calendar year, PIV/background checks apply. NDAA Section 3112 restrictions may apply to eligibility for access. Pre-Employment and Privacy
External applicants must pass a post-offer, pre-employment drug test. DOE/LLNL guidelines regarding use of mobile devices in Limited Areas apply as appropriate. See LLNL’s Equal Employment Opportunity and Privacy notices for details. Equal Employment Opportunity: LLNL is an equal opportunity employer and does not discriminate on protected characteristics. Reasonable accommodations are available during the application process. California Privacy Notice and Employee Privacy information can be found on LLNL’s site.
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Fusion Materials Computational Materials Science - Postdoctoral Researcher at Physics World. The role is with Lawrence Livermore National Laboratory (LLNL) in the Actinides and Lanthanide Science group within the Materials Science Division. The position focuses on the development of refractory high-entropy alloys (RHEAs) for survivability in fusion energy environments, combining multi-scale modeling, experiments, and AI to enable atomic-scale predictions of microstructural evolution under irradiation. Responsibilities
Develop and validate a multiscale simulation framework for radiation-induced defect evolution in complex alloys, focusing on RHEAs. Implement the framework in parallel simulation codes for 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 alloy property optimization. Work independently and with collaborators in a multidisciplinary team to achieve program goals. Publish research results in peer-reviewed journals and present at external conferences, seminars, and technical meetings. Perform other duties as assigned. Qualifications
PhD in Materials Science, Condensed Matter Physics, Nuclear Engineering, Computational Science, Applied Math, or related field. Experience with atomistic simulation methods (e.g., Molecular Dynamics, Kinetic Monte Carlo). Ability to develop massively parallelized codes using C/C++/Python and experience with high-performance computing environments. Strong analytical and problem-solving skills. Proficient verbal and written communication skills with a record of publications. Initiative and ability to work in a collaborative, multidisciplinary team. Desirable Qualifications
Experience with multiscale modeling frameworks and integration of multiple simulation methods. Familiarity with advanced KMC algorithms for defect evolution or discrete event simulations. Background in modeling radiation effects in metals or alloys/high-entropy alloys. Experience in algorithm design, development of simulation codes, implementation, and validation. Position Information
This is a Postdoctoral appointment with potential extension up to three years. Applicants must have been awarded a PhD by the time of hire. Why LLNL
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 and inclusion information available at LLNL website Security and Compliance
None required for clearance; if assignment exceeds 179 days in a calendar year, PIV/background checks apply. NDAA Section 3112 restrictions may apply to eligibility for access. Pre-Employment and Privacy
External applicants must pass a post-offer, pre-employment drug test. DOE/LLNL guidelines regarding use of mobile devices in Limited Areas apply as appropriate. See LLNL’s Equal Employment Opportunity and Privacy notices for details. Equal Employment Opportunity: LLNL is an equal opportunity employer and does not discriminate on protected characteristics. Reasonable accommodations are available during the application process. California Privacy Notice and Employee Privacy information can be found on LLNL’s site.
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