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National Renewable Energy Laboratory (NREL)

Theoretical Modeling of Sensing Materials for Autonomous Lab Development National Energy Technology Laboratory (NETL) in United States

Degree Level

Postdoc

Field of study

Chemistry

Funding

Post-doctoral stipend is $8126 per month, commensurate with educational level and experience.

Deadline

Nov 30, 2026

Country flag

Country

United States

University

National Renewable Energy Laboratory (NREL)

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Keywords

Chemistry
Artificial Intelligence
Computational Chemistry
Computational Physics
Sensor Technology
Model Theory
Density Functional Theory
Atomistic Simulation
Physics
ML

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About this position

This postdoctoral research opportunity at the National Energy Technology Laboratory (NETL) focuses on the theoretical modeling of sensing materials for autonomous lab development. Working with the Research Innovation Center (RIC) at NETL in Pittsburgh, the selected researcher will be mentored by Yuhua Duan and contribute to an overarching effort to build an autonomous, self-driving laboratory for sensing materials discovery and development.

The project brings together atomistic simulation, artificial intelligence, machine learning, and laboratory automation to accelerate the design and validation of sensing materials. A key motivation is to reduce the time and repetitive manual effort required in traditional research labs by combining predictive modeling with automated experimental workflows. The postdoctoral researcher will help advance NETL’s capabilities in this area and support the development of data-driven approaches for materials discovery.

Research activities are centered on using simulation and AI/ML tools to develop sensing materials databases, analyze modeling outputs, and build skills in scientific communication through reports and presentations. The position is hosted at NETL’s Pittsburgh campus, within a national laboratory environment that emphasizes advanced research, collaboration, and access to state-of-the-art equipment.

The opportunity is part of the NETL Postdoctoral Research Fellowship Program, administered through ORISE, and is designed to provide close mentorship from NETL principal investigators and exposure to a broad scientific community.

Funding details

Post-doctoral stipend is $8126 per month, commensurate with educational level and experience.

What's required

PhD in Physics or Chemistry is preferred. Applicants should have experience with computational physics, chemistry, and materials science, with research experience involving density functional theory and ML simulations. Familiarity with software packages such as VASP, CP2K, Gaussian, Scikit-learn, TensorFlow, and SciML, as well as database development, is desired. To be eligible, applicants must have received a doctoral degree within the last five years or be currently enrolled in a doctoral degree program and complete the degree prior to the appointment start date. U.S. citizenship is required.

How to apply

Submit the online application in Zintellect with academic history, work history, honors/awards, goals statement, transcripts, a current CV, and two recommendation contacts. Ensure documents are in English or include official English translations. For questions, contact [email protected].

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