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RAP opportunity at National Institute of Standards and Technology     NIST

Computational Investigation of Carbon Capture Materials


NIST Center for Neutron Research

opportunity location
50.61.01.C0675 Gaithersburg, MD

NIST only participates in the February and August reviews.


name email phone
Taner Yildirim 301.975.6228
Wei Zhou 301.975.8169


Carbon capture materials play an important role in meeting global energy and climate goals. We conduct detailed computational investigations (DFT calculations, Monte Carlo simulation, etc.) of a wide spectrum of candidate materials, to achieve fundamental understanding of the chemical and structural interactions governing the carbon capture processes. Research topics include: sorption materials, carbon mineralization, catalytic conversion of CO2 into fuels, direct air capture, machine learning for large-scale material screening etc. Working closely with experimental teams at NIST, our computational efforts complement the experimental findings, help better understand the CO2 capture mechanisms, and suggest possible routes for improving existing materials and designing new materials.

key words
carbon capture; carbon storage; carbon utilization; carbon sequestration; carbon conversion; direct air capture; sorption; mineralization; catalysis; first-principles calculations; density functional theory; monte carlo simulation; machine learning


Citizenship:  Open to U.S. citizens
Level:  Open to Postdoctoral applicants


Base Stipend Travel Allotment Supplementation
$82,764.00 $3,000.00
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