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Postdoctoral Position in High-Throughput Computa ... (1 reply)

[email protected]
11 months ago
[email protected] 11 months ago

Postdoctoral position available at National Energy Technology Laboratory's (NETL).

Through the Oak Ridge Institute for Science and Education (ORISE), this posting seeks a post-Doctoral or post-Master's researcher to engage in projects with the Research Innovation Center (RIC) at the National Energy Technology Laboratory (NETL) in the area of direct air capture (DAC), under the mentorship of Wissam Saidi. This project will be hosted at the NETL Morgantown, WV and Pittsburgh, PA campuses.

The overall objective of this project is to apply high-throughput computational tools to create electrocatalysts that selectively convert CO2 into hydrocarbon products. We will mainly focus on quickly screening the composition space and rapidly down-selecting electrocatalyst materials based on binary alloy systems for experimental validations. The selected participant will examine at the fundamental level the interactions between CO2 and other intermediates with binary alloy surfaces.

The participant will learn how to conduct high throughput computations to examine the fundamentals of CO2 reduction reaction. The participant will also learn techniques based on data analytics, statistical mechanics, big data and machine learning to address this research. Furthermore, the applicant will learn how to interact with experimentalist to achieve the set objectives.

 

Experience in First Principle Calculation, Molecular Dynamics, Machine Learning, Python Programming is desirable. Please email cover letter and resume to [email protected].

[email protected]
11 months ago
[email protected] 11 months ago

The position is only open to US Citizens or US Permanent Residents.




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Ab initio (from electronic structure) calculation of complex processes in materials