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.