Electrocatalysis Modeling Postdoctoral Research Associate

Idaho National Laboratory • Idaho Falls, ID

44d • Onsite

About The Position

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 9x80 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. 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.

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

Nice To Haves

• 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.

Responsibilities

• 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.

Benefits

• 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.

What This Job Offers

• Job Type: Full-time
• Career Level: Entry Level
• Industry: Professional, Scientific, and Technical Services
• Education Level: Ph.D. or professional degree
• Number of Employees: 1,001-5,000 employees