| Advances in automated transition state theory calculations: improvements on the AutoTST framework N Harms, C Underkoffler, R West | 6 | 2020 |
| Improving detailed kinetic models through automated transition state theory calculations ND Harms Northeastern University, 2020 | | 2020 |
| 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 |
| Autonomous Systems for Experimental and Data-Driven Modeling of Combustion Kinetics SK Sirumalla, N Harms, M Barbet, C LaGrotta, M Burke, K Niemeyer, ... 2019 AIChE Annual Meeting, 2019 | | 2019 |
| Recent Advances in Automated Transition State Theory Calculations: A Case Study Using Butanol N Harms, C Underkoffler, 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 |
| Transition State Geometry Prediction Using Neural Embeddings of Transition State Graphs SK Sirumalla, N Harms, RH West 2018 AIChE Annual Meeting, 2018 | | 2018 |
| Assessing Discrepancies in Kinetic Parameters and Improving Combustion Models through Metaheuristic Optimization N Harms, SK Sirumalla, RH West 2018 AIChE Annual Meeting, 2018 | | 2018 |
| Determining kinetic parameters of hydrogen abstraction from novel biofuel candidates through automated transition state theory calculations N Harms, R West ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Automatically finding and fixing mistakes in detailed kinetic models of combustion N Harms, R West ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Implementing genetic algorithms and evolutionary strategies in conformer analysis N Harms, R West ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Automated Transition State Theory Calculation of Hydrogen Abstraction from Novel Biofuels N Harms, RH West 2017 AIChE Annual Meeting, 2017 | | 2017 |
| Addressing Discrepancies in Hydrogen Abstraction By Ooh Radical Via Automatic Transition State Theory Calculations N Harms, RH West 2017 AIChE Annual Meeting, 2017 | | 2017 |
| Photoluminescence Detection of 2, 4, 6-Trinitrotoulene (TNT) Binding on Single Cell Diatom Biosilica ND Harms | | 2016 |
