Advances in predictive chemistry enable a multi-scale rational design approach for biofuels with advantaged properties
Katherine S. Lockwood, Sheikh F. Ahmed, Nabila A. Huq, Sadie C. Stutzman, Thomas D. Foust, Nicole J. Labbe
Abstract
Process of building predictive gas-phase chemical mechanisms faster and less computationally intensive using state of the art automated chemical tools and linking the predicted chemical reactivity to underlying chemical structure information.
Topics & Concepts
Reactivity (psychology)Process (computing)Scale (ratio)Gas phaseChemical processComputer scienceRational designBiochemical engineeringChemistryNanotechnologyEngineeringMaterials scienceOrganic chemistryPhysicsMedicineQuantum mechanicsOperating systemPathologyAlternative medicineAdvanced Combustion Engine TechnologiesBiodiesel Production and ApplicationsMicrobial Metabolic Engineering and Bioproduction