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Mark R. Nimlos

Mark Nimlos is a Principal Scientist and Supervisor for the Biomass Molecular Sciences group in the National Bioenergy Center at the National Renewable Energy Laboratory.


Ph.D., Chemical Physics, University of Colorado at Boulder, Boulder, CO, 1986
B.S., Chemistry, University of Massachusetts, Boston, MA, 1981

Research Interests and Selected Publications

The Biomass Molecular Sciences group performs research in the following areas:

Details about our research and links to peer-reviewed publications are provided in the following sections.

Molecular Dynamics Modeling of Cellulases

We use molecular dynamics modeling to understand the relationship between the structure and function of cellulase enzymes and their interaction with cellulose substrates. The ultimate goal of this research is to be able to design more efficient cellulose-degrading enzymes or enzyme complexes.

Selected publications on the molecular dynamics modeling of cellulases:

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Chemistry of Biomass Pretreatment

We use experiments and quantum modeling to understand the chemistry of biomass pretreatment. Our focus has been primarily on the production and loss of sugars during acid pretreatment.

Selected publications on the chemistry of biomass pretreatment:

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The Science of Thermal Conversion of Biomass

Our research has been directed toward trying to understand the chemistry and physics of thermochemical processes for the conversion of biomass, with an eye toward making these processes more efficient and more selective. We use a variety of computational and experimental approaches.

Selected publications on the science of thermal conversion of biomass:

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Molecular Spectroscopy

We primarily use matrix isolation infrared spectroscopy to investigate structures and reactivity of transient molecules and radicals.

Selected publications in molecular spectroscopy:

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Contact Information

Mark Nimlos
15013 Denver West Parkway, MS 3322
Golden, CO 80401
Phone: 303-384-7704