What are the responsibilities and job description for the Computational Chemical Modeling Postdoctoral Research Associate position at Idaho National Laboratory?
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:
The pay range for this position is $101,196.00 Annually. At Idaho National Laboratory compensation decisions are determined using factors such as education, relevant experience, and other credentials.
Physical Requirements
While performing the duties of this classification, the employee is frequently required to stand, walk, sit, stoop, kneel, bend, use hands to handle materials, manipulate tools, keyboard and type, reach with hands and arms, and operate job related equipment. The employee must occasionally lift and/or move up to 25 pounds. Sufficient visual acuity and hearing capacity to perform the essential functions and interact with people is required. Reasonable accommodation may be made to enable individuals with disabilities to perform the essential functions
Benefits and Relocation
INL is a science-based, applied engineering national laboratory dedicated to supporting the U.S. Department of Energy’s mission in nuclear energy research, science, and national defense. With more than 6,300 scientists, researchers, and support staff, the laboratory works with national and international governments, universities and industry partners to change the world’s energy future and secure our nation’s critical infrastructure.
INL Mission
Our mission is to discover, demonstrate and secure innovative nuclear energy solutions, other clean energy options and critical infrastructure.
INL Vision
Our vision is to change the world’s energy future and secure our nation’s critical infrastructure.
Selective Service Requirements
To be eligible for employment at INL males born after December 31, 1959 must have registered with the Selective Service System (SSS). For more information see www.sss.gov.
Equal Employment Opportunity
Idaho National Laboratory (INL) is an Equal Employment Opportunity (EEO) employer. It is the policy of INL to provide equal employment opportunities to all qualified applicants without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, protected veteran or disabled status, or genetic information.
Reasonable Accommodation
We will ensure that individuals with disabilities are provided reasonable accommodation to participate in the job application or interview process, to perform essential job functions, and to receive other benefits and privileges of employment. Please contact us to request accommodation.
Other Information
When applying to positions please provide a resume and answer all questions on the following screens. Applicants who fail to provide a resume or answer the questions may be deemed ineligible for consideration.
INL does not accept resumes from third party vendors unsolicited.
Primary Location
United States
Job
Postdoc
Organization
Nuclear Science & Technology (Cxxx)
Schedule
Full-time
Employee Status
Regular
Job Posting
Dec 4, 2025, 3:45:37 PM
Unposting Date
Jan 5, 2026, 1:59:00 AM
RELOCATION
Position Relocation Eligible
TELEWORK
On-Site Worker
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 Development
- 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
- Ph.D. in Nuclear Engineering, Materials Science, Chemical Engineering, Chemistry, or a related field
- PhD requirements must be completed by commencement of appointment and within the previous 5 years
- Communicating technical results clearly in oral presentations and written reports
- Producing high-quality, peer-reviewed journal publications
- Contributing to the development of new research directions and proposals
- Working effectively within an interdisciplinary team spanning chemistry, materials science, nuclear engineering, and computational science
- Taking initiative in innovative R&D projects addressing complex national-scale challenges in advanced nuclear energy and critical materials processing
The pay range for this position is $101,196.00 Annually. At Idaho National Laboratory compensation decisions are determined using factors such as education, relevant experience, and other credentials.
Physical Requirements
While performing the duties of this classification, the employee is frequently required to stand, walk, sit, stoop, kneel, bend, use hands to handle materials, manipulate tools, keyboard and type, reach with hands and arms, and operate job related equipment. The employee must occasionally lift and/or move up to 25 pounds. Sufficient visual acuity and hearing capacity to perform the essential functions and interact with people is required. Reasonable accommodation may be made to enable individuals with disabilities to perform the essential functions
Benefits and Relocation
- Medical, Dental, Vision, and Flexible Spending Accounts
- Paid time off (personal leave)
- Comprehensive Relocation Package
- Benefit eligibility subject multiple factors, including employment status and position classification.
INL is a science-based, applied engineering national laboratory dedicated to supporting the U.S. Department of Energy’s mission in nuclear energy research, science, and national defense. With more than 6,300 scientists, researchers, and support staff, the laboratory works with national and international governments, universities and industry partners to change the world’s energy future and secure our nation’s critical infrastructure.
INL Mission
Our mission is to discover, demonstrate and secure innovative nuclear energy solutions, other clean energy options and critical infrastructure.
INL Vision
Our vision is to change the world’s energy future and secure our nation’s critical infrastructure.
Selective Service Requirements
To be eligible for employment at INL males born after December 31, 1959 must have registered with the Selective Service System (SSS). For more information see www.sss.gov.
Equal Employment Opportunity
Idaho National Laboratory (INL) is an Equal Employment Opportunity (EEO) employer. It is the policy of INL to provide equal employment opportunities to all qualified applicants without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, protected veteran or disabled status, or genetic information.
Reasonable Accommodation
We will ensure that individuals with disabilities are provided reasonable accommodation to participate in the job application or interview process, to perform essential job functions, and to receive other benefits and privileges of employment. Please contact us to request accommodation.
Other Information
When applying to positions please provide a resume and answer all questions on the following screens. Applicants who fail to provide a resume or answer the questions may be deemed ineligible for consideration.
INL does not accept resumes from third party vendors unsolicited.
Primary Location
United States
Job
Postdoc
Organization
Nuclear Science & Technology (Cxxx)
Schedule
Full-time
Employee Status
Regular
Job Posting
Dec 4, 2025, 3:45:37 PM
Unposting Date
Jan 5, 2026, 1:59:00 AM
RELOCATION
Position Relocation Eligible
TELEWORK
On-Site Worker
Salary : $101,196