Reaction mechanism generator v3. 0: advances in automatic mechanism generation M Liu, A Grinberg Dana, MS Johnson, MJ Goldman, A Jocher, AM Payne, ... Journal of Chemical Information and Modeling 61 (6), 2686-2696, 2021 | 212 | 2021 |
Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics M Keçeli, SN Elliott, YP Li, MS Johnson, C Cavallotti, Y Georgievskii, ... Proceedings of the Combustion Institute 37 (1), 363-371, 2019 | 85 | 2019 |
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 | 64 | 2022 |
The role of correlations in uncertainty quantification of transportation relevant fuel models A Fridlyand, MS Johnson, SS Goldsborough, RH West, MJ McNenly, ... Combustion and Flame 180, 239-249, 2017 | 39 | 2017 |
Oxidation and pyrolysis of methyl propyl ether MS Johnson, MR Nimlos, E Ninnemann, A Laich, GM Fioroni, D Kang, ... International Journal of Chemical Kinetics 53 (8), 915-938, 2021 | 30 | 2021 |
Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software AG Dana, MS Johnson, JW Allen, S Sharma, S Raman, M Liu, CW Gao, ... International Journal of Chemical Kinetics 55 (6), 300-323, 2023 | 29 | 2023 |
A machine learning based approach to reaction rate estimation MS Johnson, WH Green Reaction Chemistry & Engineering 9 (6), 1364-1380, 2024 | 14 | 2024 |
ARC-automated rate calculator, version 1.1. 0 A Grinberg Dana, D Ranasinghe, H Wu, C Grambow, X Dong, M Johnson, ... Zenodo https://doi. org/10.5281/zenodo 3356849, 2019 | 11* | 2019 |
AutoMat: Automated materials discovery for electrochemical systems E Annevelink, R Kurchin, E Muckley, L Kavalsky, VI Hegde, V Sulzer, ... MRS Bulletin 47 (10), 1036-1044, 2022 | 10* | 2022 |
Examining the accuracy of methods for obtaining pressure dependent rate coefficients MS Johnson, WH Green Faraday Discussions 238, 380-404, 2022 | 9 | 2022 |
A workflow for automatic generation and efficient refinement of individual pressure-dependent networks MS Johnson, AG Dana, WH Green Combustion and Flame 257, 112516, 2023 | 7* | 2023 |
ReactionMechanismSimulator. jl: A modern approach to chemical kinetic mechanism simulation and analysis MS Johnson, HW Pang, AM Payne, WH Green International Journal of Chemical Kinetics, 2023 | 7 | 2023 |
Pynta─An Automated Workflow for Calculation of Surface and Gas–Surface Kinetics MS Johnson, M Gierada, ED Hermes, DH Bross, K Sargsyan, HN Najm, ... Journal of Chemical Information and Modeling 63 (16), 5153–5168, 2023 | 6 | 2023 |
By how much can closed-loop frameworks accelerate computational materials discovery? L Kavalsky, VI Hegde, E Muckley, MS Johnson, B Meredig, ... Digital Discovery 2 (4), 1112-1125, 2023 | 6 | 2023 |
Species Selection for Automatic Chemical Kinetic Mechanism Generation MS Johnson, HW Pang, M Liu, WH Green | 5 | 2024 |
Transitory sensitivity in automatic chemical kinetic mechanism analysis MS Johnson, CJ McGill, WH Green | 4 | 2024 |
Subgraph Isomorphic Decision Tree to Predict Radical Thermochemistry with Bounded Uncertainty Estimation HW Pang, X Dong, MS Johnson, WH Green The Journal of Physical Chemistry A 128 (14), 2891-2907, 2024 | 3 | 2024 |
Diffusion-Limited Kinetics in Reactive Systems MS Johnson, JN Mueller, C Daniels, HN Najm, J Zádor The Journal of Physical Chemistry A, 2024 | 1 | 2024 |
Automatic Generation and Analysis of Chemical Kinetic Mechanisms MS Johnson Massachusetts Institute of Technology, 2022 | 1 | 2022 |
Low Temperature Oxidation of Methylpropyl Ether MR Nimlos, L Bu, MS Johnson, D Kang, GM Fioroni, RL McCormick, ... National Renewable Energy Lab.(NREL), Golden, CO (United States), 2020 | 1 | 2020 |