From 1991 – 1997 Green was a principal investigator for
Exxon Corporate Research. During that time he was one of the first to apply
density functional theory to open-shell molecules and their reactions. With David Avila and
Keith Usherwood Ingold he discovered and explained a strong solvent effect on certain types of free radical reactions, and with Roberta Susnow,
Anthony M. Dean, and
Linda Broadbelt he invented the rate-based algorithm for constructing reaction networks appropriate to the local reaction conditions. In 1997 he joined the chemical engineering faculty at MIT. His research group developed the open-source Reaction Mechanism Generator software, which allows anyone to rapidly construct accurate kinetic models for many gas-phase and some liquid phase reaction systems. Most of the parameter values in this software come from
quantum chemistry calculations, many performed by Green's group at MIT. Although there were many related prior works that laid the groundwork, the Reaction Mechanism Generator was a significant advance over the prior state of the art, making it much easier to construct reliable chemical kinetic models for complicated systems. Green and his students used these new methods to predict a wide variety of systems, many of them including
pyrolysis or
combustion. The model predictions were tested against a variety of experimental data, mostly measured by others, but some measured in Green's lab at MIT. His group also constructed a unique instrument combining
flash photolysis, vacuum ultraviolet photoionization mass spectrometry, and long-path laser absorption, making it possible to measure both rates and product branching ratios simultaneously, in order to test calculations on individual reactions. Green also held leading roles in several research projects of MIT's Energy Initiative, including the Mobility of the Future Study. Green also received some patents for his work at MIT, most notably a method for converting toxic H2S into valuable H2. Very recently, Green has developed ways for using
machine learning to predict the properties of molecules and the major products of chemical reactions. This made it possible to develop a computer program which can suggest good synthetic pathways for producing most small and moderate-size molecules. Most of this work was done in collaboration with
Klavs F. Jensen and their PhD student Connor Coley, and much of the work was summarized in an article in Accounts of Chemical Research. That work received press attention, and Coley received multiple awards.
Notable accomplishments In recognition of his research accomplishments, Green was named editor-in-chief of the
International Journal of Chemical Kinetics in 2008, and was appointed the
Hoyt C. Hottel Chair of
Chemical Engineering in 2009. He has received many awards, including the ACS's Glenn Award in Fuel Chemistry (3 times in 2004, 2009, 2013) and the AIChE's R. H. Wilhelm Award in 2019, the top annual prize in the field of chemical reaction engineering. He was elected a Fellow of the
American Association for the Advancement of Science in 2016, and a Fellow of the
Combustion Institute in 2018. Green is also a co-founder of Thiozen, a start-up company seeking to commercialize a method of converting H2S into hydrogen that Green co-invented with Ryan Gillis. Green published approximately 300 journal papers and book chapters, which by 2020 had been cited more than 13,000 times. Eighteen of his former PhD and postdoctoral students have been appointed to faculty positions, and several of them have won awards for their research. While Green is best known for his research, he won the Mohr Award for Outstanding Teaching of Undergraduates as well, and he served as Executive Officer of the MIT Chemical Engineering Department 2012–2015. ==Personal life==