CORDIS Project
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This project focuses on developing computational methods to study chemical reactions in various environments, particularly the conversion of glycerol to lactic acid. The goal is to enhance the understanding of dehydration processes, which could lead to improved biomass recycling techniques.
The objective of this research is to develop and apply computational methods for the investigation of chemical reactivity in any aqueous, catalytic, or biological environment.
This will result in a complete multi-scale strategy for effective and accurate investigation of these complex processes.
The applicant will develop new methods for efficient electronic structure calculations and strategically combine them with state of the art rare events techniques, and a whole range of available tools fo…
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