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Colin A. Grambow
Colin A. Grambow
Genentech
Подтвержден адрес электронной почты в домене gene.com
Название
Процитировано
Процитировано
Год
Fabrication of micro/nano structures on metals by femtosecond laser micromachining
KMT Ahmmed, C Grambow, AM Kietzig
Micromachines 5 (4), 1219-1253, 2014
4812014
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
2412021
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
2082020
Deep learning of activation energies
CA Grambow, L Pattanaik, WH Green
The journal of physical chemistry letters 11 (8), 2992-2997, 2020
1532020
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
1292020
Unimolecular reaction pathways of a γ-ketohydroperoxide from combined application of automated reaction discovery methods
CA Grambow, A Jamal, YP Li, WH Green, J Zádor, YV Suleimanov
Journal of the American Chemical Society 140 (3), 1035-1048, 2018
1092018
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
1002019
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
812022
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
622019
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
562020
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
382018
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
342023
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
16
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
112022
Arc-automated rate calculator, version 1.1. 0
AG Dana, D Ranasinghe, H Wu, C Grambow, X Dong, M Johnson, ...
DOI: 10.5281/zenodo 3356849, 2019
52019
Anne-Marie Kietzig Fabrication of Micro
KMT Ahmmed, C Grambow
Nano Structures on Metals by Femtosecond Laser Micromachining, 1219-1253, 2014
52014
Toward Accurate Quantum Mechanical Thermochemistry:(1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions
H Wu, AM Payne, HW Pang, A Menon, CA Grambow, DS Ranasinghe, ...
The Journal of Physical Chemistry A, 2024
42024
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning
CA Grambow, H Weir, CN Cunningham, T Biancalani, KV Chuang
Scientific Data 11 (1), 859, 2024
32024
Virtual issue on new tools and methods in physical chemistry research
AB McCoy
The Journal of Physical Chemistry A 124 (22), 4323-4324, 2020
22020
Towards Accurate Quantum Mechanical Thermochemistry:(1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions
AM Payne, H Wu, HW Pang, CA Grambow, DS Ranasinghe, X Dong, ...
12023
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Статьи 1–20