Dr. Pierre Lennox Bhoorasingh became the second PhD graduate from the CoMoChEng group this week! He defended his thesis, “Automated Calculation of Reaction Kinetics Via Transition State Theory”, on June 8th, 2016. Pierre is now working for Pill Pack in Boston, MA.
Category Archives: Uncategorized
Dr. Fariba Seyedzadeh Khanshan officially became the first PhD graduate from the CoMoChEng group this week! She defended her thesis, “Automatic Generation of Detailed Kinetic Models for Complex Chemical Systems”, on January 29, 2016. Fariba is currently working as a post-doc at Shire in Lexington, MA.
On September 15, 2014, the CoMoChEng lab participated in the Northeastern University College of Engineering Undergraduate Research Fair. We have many opportunities for undergraduate researchers at all levels. The flyer above has “Programmers” writ large, but most of our many successful researchers started with no programming experience, and many of our projects will not require […]
Richard, Pierre, and Fariba are in San Francisco this August for the 35th International Symposium on Combustion. The Computational Modeling in Chemical Engineering group is presenting four posters on Wednesday. If you’re at the conference, you should come and check them out! Our graphical abstracts are below. Contact us for the full posters. RMG-Py: the […]
ChE Assistant Professor Richard West was awarded a $140K NSF Grant to “Identify and resolve discrepancies in kinetic models of hydrocarbon combustion“. Computational kinetic modeling of combustion chemistry has made significant progress in recent decades. Dozens of recent models, which describe tens of thousands of simultaneous reactions between thousands of intermediate species, are capable of […]
CoMoChEng graduate student Belinda Slakman successfully defended her PhD thesis proposal this spring. Belinda’s presentation, “Using Reaction Mechanism Generator (RMG) to study complex liquid-phase systems”, was held on April 11, 2014. Well done Belinda! The CoMoChEng group now officially has three PhD candidates.
In 2013 we were awarded a $100k Doctoral New Investigator (DNI) Grant by the American Chemical Society Petroleum Research Fund. In January 2014 we began work on the project, titled “Transition-State Prediction for High-Throughput Calculation of Accurate Chemical Reaction Rates”. Even conventional engine designs require hundreds of hours of costly tuning to optimize, for each […]
CoMoChEng graduate students Pierre Bhoorasingh and Fariba Seyedzadeh Khanshan successfully defended their thesis proposals this fall. Pierre’s presentation, “Automated kinetic parameter calculation via transition state theory for bimolecular reactions to develop a 2,5:dimethylfuran combustion mechanism”, was held on November 14, 2013, and Fariba’s talk, “Using Reaction Mechanism Generator (RMG) to build detailed kinetic models of biofuels”, was on […]
Graduate students Fariba and Belinda attended the Combustion Energy Frontier Research Center’s (CEFRC) Combustion Summer School, held at Princeton University, from June 23-28, 2013. They took courses in Combustion Theory and Combustion Chemistry, attended a career panel, and spent an evening touring Philadelphia.
Professor Richard West and graduate students Pierre and Fariba attended the 8th U.S. National Combustion Meeting, from May 19-22, 2013 in Park City, UT. The group presented two posters: P. L. Bhoorasingh and R. H. West. Automatic transition state searches for reaction mechanism generation. F. Seyedzadeh Khanshan and R. H. West. Using Reaction Mechanism Generator […]