Mesoscale Modeling – Postdoctoral Researcher

Job Description

We have an opening for a
Postdoctoral Researcher to conduct computational research in the area of mesoscopic modeling of interface thermodynamics and kinetics, as well as associated microstructure evolution of materials, focusing on (electro) chemical and/or (electro) chemo-mechanical degradation mechanisms. You will be part of an interdisciplinary team of computational and experimental materials scientists utilizing world class computational and experimental research facilities to study the surfaces, interfaces, and microstructures of materials for structural and/or energy applications.

This role will actively participate in the research and development of mesoscale computational models and codes for investigating mechanisms and simulating coupled interfacial processes in materials, including metals and metal oxides. This position is in the Computational Materials Science Group of the Materials Science Division.

• Fundamental and applied research in the thermodynamics and kinetics of surface/interface phenomena and associated microstructure evolution of metals and/or metal oxides.
• Develop integrated modeling and simulation capabilities for simulating concurrent physical, chemical, and materials kinetic processes in materials.
• Design and perform systematic computer simulations on LLNL supercomputers to establish the foundational understanding of thermodynamic and kinetic surface/interfacial mechanisms in these materials.
• Pursue independent but complementary research interests and interact with a broad spectrum of scientists internally and externally to the Laboratory.
• Collaborate with scientists in multidisciplinary team environment, including experimental and multiscale modeling experts.
• Document research; publish papers in peer-reviewed journals, and present results within the DOE community and at conferences.
• Perform other duties as assigned.

• PhD in materials science, chemical engineering, mechanical engineering, physics, applied mathematics, or related field.
• Demonstrated broad expertise in surface/interface mechanisms and phase transformations, with experience in microstructure-resolved mesoscale modeling of reactive (electro) chemical and/or (electro) chemo-mechanical processes governing degradation and/or performance in metals and/or metal oxides.
• Experience with the development of phase-field models and the implementation of corresponding numerical methods in computer codes.
• Experience with numerical methods for solving partial differential equations such as finite difference, finite element, and/or spectral methods.
• Ability to develop independent research projects demonstrated through publication of peer-reviewed journal articles.
• Proficient verbal and written communication skills as reflected in effective presentations at seminars, meetings and/or teaching lectures.
• Initiative and interpersonal skills with desire and ability to work in a collaborative, multidisciplinary team environment.

• Experience with FORTRAN, C/C++, and parallel computing.
• Experience in theoretical/computational studies of material microstructure evolution involving microelasticity and/or plasticity effects.
• Experience with developing quantitative, parameterized phase-field models for interfacial processes and/or solid-state phase transformations of real materials systems (e.g., polycrystalline materials).

$123,048 Annually

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.

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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