National-Lab
Location: ID
About the job
Idaho National Laboratory is hiring a well-qualified Electrocatalysis Modeling Postdoctoral Research Associate in Chemical Engineering or comparable discipline for the Hydrogen and Electrochemistry Department. Our team works a 9×80 schedule located out of our Idaho Falls facility with every other Friday off.
This postdoctoral researcher will focus on performing research and development activities associated with artificial intelligence (AI)/machine learning, and state-of-the-art computational tools (density functional theory, molecular dynamics, photon calculation, catalysis microkinetic analysis, multiscale molecular modeling, computational fluid dynamics, etc.) to study systems across diverse time and length scales for electrochemical processing and electrocatalysis.
Specifically, this position will conduct and lead computational characterization and development efforts supporting new electrochemical approaches to hydrogen generation, chemical and fuel synthesis, among other applications.
Responsibilities Include
Leads and contributes to INL’s hydrogen program as well as other related projects.
Supports the identification of new research opportunities, contributes to the direction of technical teams, can respond to research opportunities, and assists in the generation of technical proposals and securing funding for research activities.
In consultation with PI, will establish research plans and experimental designs for research projects/programs. Assimilates and interprets laboratory data and employs knowledge, training, and experience to develop conclusions and theories.
Serves as a technical resource to others and a liaison to other departments and external collaborators.
Serves as both a generator and a contributor to the generation of reports, publications, proposals and intellectual property.
Represents the department to sponsors and peers at program review, technical symposia, and other interface situations.
Maintains frequent internal customer contacts, may have interface external to INL.
Assists and supports department business planning and marketing efforts.
The candidate is expected to be a strong asset to our interdisciplinary R&D team and work effectively both alone and as a team member. The candidate must be self-motivated but also take direction from other team members and peers.
The position entails writing scientific manuscripts for journal publication, and presentation of research results at national and international conferences and meetings.
Minimum Requirements
PhD requirements must be completed by commencement of appointment and within the previous 5 years
PhD in chemical engineering or comparable disciplines
Experience with Machine Learning Potential (MLP) frameworks including Allegro, FLARE, RuNNer
Experience with applying Density Functional Theory (DFT) Code such as VASP, CP2K
Ability to conduct Large Scale Molecular Dynamics (MD) Simulations with LAMMPS
Demonstrated oral and published written communication skills in English
Preferred Experience
Familiarity with phonon calculations using Phonopy.
Experience conducting catalysis microkinetic analyses with CatMAP.
Proficient in multiscale molecular modeling using Materials Studio.
Strong programming skills in Python, with applications in computational modeling.
Hands-on experience with Computational Fluid Dynamics (CFD) simulations using tools such as STAR-CCM+. etc.
Job Information
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, bend,
and work in an office and laboratory environment. The job requires hand/finger dexterity to keyboard or type, handle
materials, manipulate tools, and reach with hands and arms. The job requires operation of job-related equipment. The
employee must occasionally lift and/or move up to 25 pounds without assistance. Sufficient visual acuity and hearing
capacity to perform the essential functions and interact with the people is required. Reasonable accommodations may be
made to enable individuals with disabilities to perform the essential functions.
Benefits and Relocation
Medical, Dental, Vision, and Flexible Spending Accounts
401(k) with a 4.2% employer contribution and up to 4.8% match
Paid time off (personal leave)
Employee Education Program (tuition assistance)
Comprehensive Relocation Package
Benefit eligibility subject multiple factors, including employment status and position classification.
At this time, BEA will not sponsor any H1-B visas obtained outside of the United States of America (U.S.A.), including consular visas.
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
US-ID-Idaho Falls
Job
Postdoc
Organization
Energy & Environment Science & Technology (Bxxx)
Schedule
Full-time
Employee Status
Regular
Job Posting
Nov 13, 2025, 4:32:24 PM
Unposting Date
Dec 15, 2025, 12:59:00 AM
RELOCATION
Position Relocation Eligible
TELEWORK
On-Site Worker
National-Lab
More Information
- Term Entry
- Company Idaho National Laboratory