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Chemistry

Theoretical chemistry & modeling

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Projects and Programs

NCNR DAC and CCUS efforts

Ongoing
Objectives To advance US competitiveness in Direct Air Capture (DAC) and Carbon Capture, Usage, and Sequestration (CCUS) Use advanced neutron scattering techniques to understand the adsorption process for the most promising materials for adsorption-based carbon capture and provide avenues to

Measuring Intermolecular Interactions with Electro-Acoustic Spectroscopy

Ongoing
We have a number of opportunities to collaborate with us. See below for details. What does this project aim to do for the chemical industry? Many industrial processes depend on the intermolecular environment- the solvents and ions that surround a molecule. These interactions impact separations

Macromolecular Architectures

Ongoing
This project’s purpose is to synthesize and characterize model thermoplastics, thermoplastic elastomers (TPE), and mixed resins with systematic variation of polymer sequence, chemistry, and architectures to generate libraries of quantitative structure-property relationships validated by multiple
tripeptides

Far-infrared Spectroscopy of Biomolecules (Archived)

Completed
We employ novel complimentary measurement and theoretical techniques to explore the low frequency intramolecular dynamics of model biological molecules including amino acids, short peptides with constrained structures, proteins with well-defined tertiary structures and DNAs. Our current efforts

Publications