Molecular Design of Fuels for Maximum Spark-Ignition Engine Efficiency by Combining Predictive Thermodynamics and Machine Learning

Co-design of alternative fuels and future spark-ignition (SI) engines allows very high engine efficiencies to be achieved. To tailor the fuel’s molecular structure to the needs of SI engines with very high compression ratios, computer-aided molecular design (CAMD) of renewable fuels has received considerable attention over the past decade. To...