RMG database for chemical property prediction MS Johnson, X Dong, A Grinberg Dana, Y Chung, D Farina Jr, RJ Gillis, ... Journal of Chemical Information and Modeling 62 (20), 4906-4915, 2022 | 44 | 2022 |
Extensive high-accuracy thermochemistry and group additivity values for halocarbon combustion modeling DS Farina Jr, SK Sirumalla, EJ Mazeau, RH West Industrial & Engineering Chemistry Research 60 (43), 15492-15501, 2021 | 17 | 2021 |
Automating Reaction Mechanism Generation of Halocarbon Combustion and Electrochemical Catalysis D Farina Jr Northeastern University, 2022 | 4 | 2022 |
Automating the generation of detailed kinetic models for halocarbon combustion with the reaction mechanism generator DS Farina Jr, SK Sirumalla, RH West Proceedings of the Combustion Institute 39 (1), 223-232, 2023 | 2 | 2023 |
Graph Neural Networks to Predict Thermochemistry of Halogenated Hydrocarbons for Use in Combustion Modeling: New Data, Methods, and a Cautionary Tale. SK Sirumalla, D Farina, RH West 2021 AIChE Annual Meeting, 2021 | | 2021 |
Automating the Construction of Predictive Kinetic Models for the Combustion of Halogenated Hydrocarbons, with Rmg D Farina, SK Sirumalla, RH West 2021 AIChE Annual Meeting, 2021 | | 2021 |
Extensive High-Accuracy Thermochemistry and Group Additivity Values for Automated Generation of Halocarbon Combustion Models D Farina Jr, SK Sirumalla, RH West 12th US National Combustion Meeting, 2021 | | 2021 |
An Automated Job Management Framework for High Fidelity Quantum Chemistry Calculations SK Sirumalla, D Farina, N Harms, RH West 2019 AIChE Annual Meeting, 2019 | | 2019 |
Predicting the Combustion Properties of Hydrofluorocarbon (HFC) Refrigerants Using the Automated Reaction Mechanism Generator (RMG) D Farina, SK Sirumalla, N Harms, RH West 2019 AIChE Annual Meeting, 2019 | | 2019 |