Colin Grambow
Affiliations: | Chemical Engineering | Massachusetts Institute of Technology, Cambridge, MA, United States |
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| Johnson MS, Dong X, Grinberg Dana A, et al. (2022) RMG Database for Chemical Property Prediction. Journal of Chemical Information and Modeling |
| Liu M, Grinberg Dana A, Johnson MS, et al. (2021) Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. Journal of Chemical Information and Modeling |
| Pattanaik L, Ingraham JB, Grambow CA, et al. (2020) Generating transition states of isomerization reactions with deep learning. Physical Chemistry Chemical Physics : Pccp. 22: 23618-23626 |
| Grambow CA, Pattanaik L, Green WH. (2020) Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry. Scientific Data. 7: 137 |
| Scalia G, Grambow CA, Pernici B, et al. (2020) Evaluating Scalable Uncertainty Estimation Methods for Deep Learning Based Molecular Property Prediction. Journal of Chemical Information and Modeling |
| Grambow CA, Pattanaik L, Green WH. (2020) Deep Learning of Activation Energies. The Journal of Physical Chemistry Letters. 2992-2997 |
| Grambow CA, Li YP, Green WH. (2019) Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach. The Journal of Physical Chemistry. A |
| Li YP, Han K, Grambow CA, et al. (2019) Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry. The Journal of Physical Chemistry. A |
| Han K, Jamal A, Grambow CA, et al. (2018) An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation International Journal of Chemical Kinetics. 50: 294-303 |
| Grambow CA, Jamal A, Li YP, et al. (2017) Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods. Journal of the American Chemical Society |