Nate Harms successfully defended his PhD thesis, titled, “Improving detailed kinetic models for combustion through automated transition state theory calculations.” He is currently employed as a full time data scientist at ZebiAI Therapeutics in Waltham, MA. Great job Nate, and best of luck!
The Annual AIChE national meeting took place remotely from November 16 to November 20, where Emily, Chao, and Chris presented three talks. See the following links for Emily’s presentation, Chao’s Presentation, and Chris’s presentation.
We are participating in the Showcase of Opportunities for Undergraduate Research and Creative Endeavor (SOURCE) virtual poster session
You can view our poster here and register through SOURCE to chat with us.
If you are interested in working with us, complete one of these short forms to register interest or apply for a position.
Graduate students, Nate and Emily, attend the US Research Software Sustainability Institute Winter School in Seattle, WA on December 17th-19th 2019.
We are pleased to welcome Chris Blais to the CoMoChEng group for a PhD!
The Computational Modeling in Chemical Engineering (CoMoChEng) group at Northeastern University is hiring undergraduate research assistants! (also MS and PhD students and a PostDoc)
Please complete a form to register interest or apply for a position.
Krishna Sirumalla won the Catalysis and Reaction Engineering Division travel award to attend the 2019 AICHE annual meeting in Orlando, Fl, where he will present three talks: Message Passing Attention Networks for Reaction Rate Estimation, Autonomous Systems for Experimental and Data-Driven Modeling of Combustion Kinetics, and An Automated Management Framework for High Fidelity Quantum Chemistry Calculations.
The CoMoChEng group at Northeastern University is part of a collaborative effort to further develop and support the successful and popular open-source modeling software Cantera, a suite of tools for problems involving chemical kinetics, thermodynamics, and transport processes.
Together, we recently secured $2.5m funding from the NSF Office of Advanced Cyberinfrastructure (OAC) under the Cyberinfrastructure for Sustained Scientific Innovation (CSSI) program. The project, titled “Frameworks: Collaborative Research: Extensible and Community-Driven Thermodynamics, Transport, and Chemical Kinetics Modeling with Cantera: Expanding to Diverse Scientific Domains“, will develop the Cantera software platform in service of three objectives: (i) extend Cantera’s scientific capabilities to support the development of transformative technologies; (ii) expand Cantera’s user base in fields including electrochemistry, heterogeneous catalysis, and atmospheric chemistry; and (iii) broaden participation in the software’s development and management to improve Cantera’s sustainability and usability.
Learn more about Cantera at https://cantera.org
Emily presented the latest advancements in RMG-Cat at 26th North American Catalysis Society Meeting which took place in Chicago from 23-28 June 2019.
Prof. West and Nate presented AutoTST-2.0 at International Numerical Conference on Combustion which took place in Aachen, Germany from 6 – 8 May 2019