| The non-adiabatic nanoreactor: towards the automated discovery of photochemistry E Pieri, D Lahana, AM Chang, CR Aldaz, KC Thompson, TJ Martínez Chemical Science 12 (21), 7294-7307, 2021 | 46 | 2021 |
| First principles reaction discovery: from the Schrodinger equation to experimental prediction for methane pyrolysis R Xu, J Meisner, AM Chang, KC Thompson, TJ Martínez Chemical Science 14 (27), 7447-7464, 2023 | 21 | 2023 |
| Hammett neural networks: prediction of frontier orbital energies of tungsten–benzylidyne photoredox complexes AM Chang, JG Freeze, VS Batista Chemical Science 10 (28), 6844-6854, 2019 | 17 | 2019 |
| Inverse Design of a Catalyst for Aqueous CO/CO2 Conversion Informed by the NiII–Iminothiolate Complex AM Chang, B Rudshteyn, I Warnke, VS Batista Inorganic Chemistry 57 (24), 15474-15480, 2018 | 17 | 2018 |
| Efficient Acceleration of Reaction Discovery in the Ab Initio Nanoreactor: Phenyl Radical Oxidation Chemistry AM Chang, J Meisner, R Xu, TJ Martínez The Journal of Physical Chemistry A 127 (45), 9580-9589, 2023 | 5 | 2023 |
| Predicting Methane Pyrolysis Chemistry through Bridging First Principles Reaction Discovery and Chemical Kinetic Modeling R Xu, J Meisner, AM Chang, KC Thompson, TJ Martinez 2023 AIChE Annual Meeting, 2023 | | 2023 |
