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Colin A. Grambow
Colin A. Grambow
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Title
Cited by
Cited by
Year
Fabrication of micro/nano structures on metals by femtosecond laser micromachining
KMT Ahmmed, C Grambow, AM Kietzig
Micromachines 5 (4), 1219-1253, 2014
3542014
Evaluating scalable uncertainty estimation methods for deep learning-based molecular property prediction
G Scalia, CA Grambow, B Pernici, YP Li, WH Green
Journal of chemical information and modeling 60 (6), 2697-2717, 2020
1022020
Unimolecular reaction pathways of a γ-ketohydroperoxide from combined application of automated reaction discovery methods
CA Grambow, A Jamal, YP Li, WH Green, J Zador, YV Suleimanov
Journal of the American Chemical Society 140 (3), 1035-1048, 2018
862018
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
762021
Deep learning of activation energies
CA Grambow, L Pattanaik, WH Green
The journal of physical chemistry letters 11 (8), 2992-2997, 2020
752020
Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry
CA Grambow, L Pattanaik, WH Green
Scientific data 7 (1), 137, 2020
612020
Accurate thermochemistry with small data sets: A bond additivity correction and transfer learning approach
CA Grambow, YP Li, WH Green
The Journal of Physical Chemistry A 123 (27), 5826-5835, 2019
562019
Self-evolving machine: A continuously improving model for molecular thermochemistry
YP Li, K Han, CA Grambow, WH Green
The Journal of Physical Chemistry A 123 (10), 2142-2152, 2019
402019
Generating transition states of isomerization reactions with deep learning
L Pattanaik, JB Ingraham, CA Grambow, WH Green
Physical Chemistry Chemical Physics 22 (41), 23618-23626, 2020
342020
An extended group additivity method for polycyclic thermochemistry estimation
K Han, A Jamal, CA Grambow, ZJ Buras, WH Green
International Journal of Chemical Kinetics 50 (4), 294-303, 2018
322018
Fabrication of micro/nano structures on metals by femtosecond laser micromachining, Micromachines. 5 (2014) 1219–1253
KMT Ahmmed, C Grambow, AM Kietzig
Doi 10, 3390, 0
9
Arc-automated rate calculator, version 1.1. 0
AG Dana, D Ranasinghe, H Wu, C Grambow, X Dong, M Johnson, ...
62019
Automated Reaction Kinetics and Network Exploration (Arkane): A Statistical Mechanics, Thermodynamics, Transition State Theory, and Master Equation Software
AG Dana, M Johnson, J Allen, S Sharma, S Raman, M Liu, C Gao, ...
52022
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
42022
Virtual Issue on New Tools and Methods in Physical Chemistry Research
AB McCoy
The Journal of Physical Chemistry A 124 (22), 4323-4324, 2020
12020
Automated Reaction Discovery from Combined Application of Transition State Search Algorithms
C Grambow, A Jamal, YP Li, J Zádor, Y Suleimanov, W Green
APS March Meeting Abstracts 2018, B34. 007, 2018
12018
In-Domain Pre-Training Improves Clinical Note Generation from Doctor-Patient Conversations
C Grambow, L Zhang, T Schaaf
Proceedings of the First Workshop on Natural Language Generation in …, 2022
2022
Automated discovery of important chemical reactions
CA Grambow
Massachusetts Institute of Technology, 2020
2020
Deep Learning of Activation Energies and Automated Reaction Dataset Generation
CA Grambow, W Green
2019 AIChE Annual Meeting, 2019
2019
Discovering unimolecular reaction pathways using an ensemble of automated reaction discovery methods
C Grambow, A Jamal, YP Li, W Green, J Zador, Y Suleimanov
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
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