Molecular Transformations
Molecular Transformations focuses on obtaining a predictive understanding of molecular transformations in biology and chemistry central to energy production, bioconversion such as production of biofuels and bioproducts, biocatalysts such as deconstruction enzymes and bioinspired catalysis, and other processes key to sustainable energy conversion and storage as well as processes that impact the other EMSL science themes.
This predictive understanding requires integration of molecular or macromolecular structure and dynamics studies, computational chemistry and multiscale modeling methods that extend molecular scale understanding to meso-scale system knowledge. This science theme provides a linkage of molecular-scale transformation, measurement and modeling to larger-scale phenomena critical to Department of Energy's Office of Biological and Environmental Research's missions and goals represented in EMSL’s other science themes.
Within this science theme, EMSL will employ our research and that of our users for:
- Solvent-mediated interfacial chemistry: The decadal goal of this theme is to develop sufficient understanding of the dynamic and emergent processes that occur at solvated interfaces to predict the transformation mechanisms and resulting properties needed to design new systems for bio/conversion of bioproduced intermediates and waste material to low-greenhouse gas carbon-based, fuels and chemicals and other molecular transformations needed for sustainable energy conversion and storage. Understanding of molecular transformations at solvated interfaces has broad application across all of EMSL’s science themes.
Molecular Transformations replaces the Energy Materials and Processes (EMP) science theme with a molecular focus that impacts all of the EMSL science themes. EMP focused on the dynamic transformation mechanisms and physical and chemical properties at critical interfaces in catalysts and energy materials needed to design new materials and systems for sustainable energy applications. Read more about the EMP science theme and projects it supported.
Molecular Transformations focuses on obtaining a predictive understanding of molecular transformations in biology and chemistry central to energy production, bioconversion such as production of biofuels and bioproducts, biocatalysts such as deconstruction enzymes and bioinspired catalysis, and other processes key to sustainable energy conversion and storage as well as processes that impact the other EMSL science themes.
This predictive understanding requires integration of molecular or macromolecular structure and dynamics studies, computational chemistry and multiscale modeling methods that extend molecular scale understanding to meso-scale system knowledge. This science theme provides a linkage of molecular-scale transformation, measurement and modeling to larger-scale phenomena critical to Department of Energy's Office of Biological and Environmental Research's missions and goals represented in EMSL’s other science themes.
Within this science theme, EMSL will employ our research and that of our users for:
- Solvent-mediated interfacial chemistry: The decadal goal of this theme is to develop sufficient understanding of the dynamic and emergent processes that occur at solvated interfaces to predict the transformation mechanisms and resulting properties needed to design new systems for bio/conversion of bioproduced intermediates and waste material to low-greenhouse gas carbon-based, fuels and chemicals and other molecular transformations needed for sustainable energy conversion and storage. Understanding of molecular transformations at solvated interfaces has broad application across all of EMSL’s science themes.
Molecular Transformations replaces the Energy Materials and Processes (EMP) science theme with a molecular focus that impacts all of the EMSL science themes. EMP focused on the dynamic transformation mechanisms and physical and chemical properties at critical interfaces in catalysts and energy materials needed to design new materials and systems for sustainable energy applications. Read more about the EMP science theme and projects it supported.
Non-Linear Ultrasonic Testing and Microstructural-based Modeling towards the Development of Prognostic Damage Maps for Reactor
Unraveling Molecular Complexity of Natural Systems
Koppenaal a co-editor of just published encyclopedia
Of catalysts and coke
Baer to serve on ECASIA'17 scientific advisory committee
Engelhard selected AVS executive committee member
EMSL's annual call for proposals opens in early January
Cream of the Crop: Top-Tier Publications from 2016
Deep down fracking wells, microbial communities thrive
Pages
Leads
![](https://webarchive.library.unt.edu/web/20161224195337im_/https://www.emsl.pnnl.gov/emslweb/sites/default/files/styles/thumbnail/public/user-photos/DonBaer.jpg?itok=0-3gMTGq)
Dr. Baer is EMSL's science theme lead for Molecular Transformations. As lead he implements the vision for development and implementation of scientific leadership within that area of emphasis, including objectives, targets and assembling the...
Instruments
Publications
No publications are available at this time.