Idaho National Laboratory (INL) is seeking a well-qualified Postdoctoral Research Associate for a Computational Thermo-Chemistry and Chemical Modeling position. This position requires domain expertise in in one or more of the following areas: thermodynamics, chemical speciation modeling, electrochemistry, high-temperature chemistry, and computational method development. A strong theoretical background in aspects of equilibrium thermodynamics, Gibbs energy minimization, reaction kinetics, and numerical optimization is highly beneficial. You will apply their expertise to large-scale thermo-chemical modeling challenges relevant to advanced nuclear technologies, including molten salt reactor speciation, chemical processing for critical materials, and corrosion-related chemistry. The position will involve work in the MOOSE ecosystem, including development of new capabilities for Gibbs energy minimization acceleration, multiphysics coupling between thermochemical models and neutronics/CFD/corrosion simulations, and integration of thermodynamic databases with mesoscale corrosion models. Experience with high-temperature materials, molten salts, or nuclear fuel cycle chemistry is beneficial but not required. Responsibilities include completing DOE-sponsored program work scope, writing scientific manuscripts for peer-reviewed journals, presenting results at national and international conferences, and delivering reports to DOE sponsors, and contributing to proposals. You should have strong expertise in one or more of the following areas: - Thermodynamics and Chemical Speciation - Equilibrium thermodynamics for complex multicomponent systems - Gibbs energy minimization formulations and algorithms (global/local optimization, convexity considerations, stability criteria) - Reaction equilibria, redox chemistry, electrochemistry, and activity models for molten salts or other high-temperature media - Computational Method Developmen t - Numerical methods for robust, accelerated minimization (e.g., Newton-based schemes, gradient-based optimization, homotopy/continuation approaches, constraint handling), GPU based optimization - Efficient treatment of phase stability, phase transitions, and multi-phase equilibria - Algorithmic coupling of thermodynamics with transport, kinetics, or irradiation effects - Multiphysics Simulation & Coupling - Coupling thermochemical calculations with neutronics, fluid dynamics, structural integrity, and corrosion models - Experience with frameworks for large-scale multiphysics simulation; familiarity with MOOSE is preferred - Understanding of data structures and interfaces needed to link thermodynamic databases (e.g., CALPHAD-style data) to mesoscale or continuum models - Software Engineering for Scientific Computing - Strong C++ programming skills (required) - Experience developing numerical algorithms in large-scale, open-source scientific codes (MOOSE experience is a plus) - Proficiency with Python, git, Linux/MacOS environments, and LaTeX is preferred
