Gabe Gomes
Gabe Gomes
Assistant Professor, Department of {Chemistry | Chemical Engineering}, Carnegie Mellon University
Verified email at - Homepage
Cited by
Cited by
Data-driven strategies for accelerated materials design
R Pollice, G dos Passos Gomes, M Aldeghi, RJ Hickman, M Krenn, ...
Accounts of Chemical Research 54 (4), 849-860, 2021
A comprehensive discovery platform for organophosphorus ligands for catalysis
T Gensch, G dos Passos Gomes, P Friederich, E Peters, T Gaudin, ...
Journal of the American Chemical Society 144 (3), 1205-1217, 2022
Data-science driven autonomous process optimization
M Christensen, LPE Yunker, F Adedeji, F Häse, LM Roch, T Gensch, ...
Communications Chemistry 4 (1), 112, 2021
On scientific understanding with artificial intelligence
M Krenn, R Pollice, SY Guo, M Aldeghi, A Cervera-Lierta, P Friederich, ...
Nature Reviews Physics 4, 761–769, 2022
Orbital hybridization: a key electronic factor in control of structure and reactivity
IV Alabugin, S Bresch, G dos Passos Gomes
Journal of Physical Organic Chemistry 28 (2), 147-162, 2015
Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
AK Nigam, R Pollice, M Krenn, G dos Passos Gomes, A Aspuru-Guzik
Chemical science 12 (20), 7079-7090, 2021
Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex
P Friederich, G dos Passos Gomes, R De Bin, A Aspuru-Guzik, D Balcells
Chemical Science 11 (18), 4584-4601, 2020
Stereoelectronic chameleons: the donor–acceptor dichotomy of functional groups
SZ Vatsadze, YD Loginova, G dos Passos Gomes, IV Alabugin
Chemistry–A European Journal 23 (14), 3225-3245, 2017
Emergent autonomous scientific research capabilities of large language models
DA Boiko, R MacKnight, G Gomes
arXiv preprint arXiv:2304.05332, 2023
Traceless directing groups in radical cascades: From oligoalkynes to fused helicenes without tethered initiators
K Pati, G dos Passos Gomes, T Harris, A Hughes, H Phan, T Banerjee, ...
Journal of the American Chemical Society 137 (3), 1165-1180, 2015
IV Alabugin, G dos Passos Gomes, MA Abdo
Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (2), e1389, 2019
Stereoelectronic source of the anomalous stability of bis-peroxides
G dos Passos Gomes, A Terent'ev, IV Alabugin
Chemical science 6 (12), 6783-6791, 2015
Coupling N–H Deprotonation, C–H Activation, and Oxidation: Metal-Free C(sp3)–H Aminations with Unprotected Anilines
CJ Evoniuk, GP Gomes, SP Hill, S Fujita, K Hanson, IV Alabugin
Journal of the American Chemical Society 139 (45), 16210-16221, 2017
Interrupted Baeyer–Villiger rearrangement: building a stereoelectronic trap for the Criegee intermediate
VA Vil', G dos Passos Gomes, OV Bityukov, KA Lyssenko, GI Nikishin, ...
Angewandte Chemie International Edition 57 (13), 3372-3376, 2018
Drawing catalytic power from charge separation: stereoelectronic and zwitterionic assistance in the Au (I)-catalyzed Bergman cyclization
G dos Passos Gomes, IV Alabugin
Journal of the American Chemical Society 139 (9), 3406-3416, 2017
Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates
R Pollice, P Friederich, C Lavigne, G dos Passos Gomes, A Aspuru-Guzik
Matter 4 (5), 1654-1682, 2021
Autonomous chemical research with large language models
DA Boiko, R MacKnight, B Kline, G Gomes
Nature 624 (7992), 570-578, 2023
Regioselective one‐pot synthesis of triptycenes via triple‐cycloadditions of arynes to ynolates
S Umezu, G dos Passos Gomes, T Yoshinaga, M Sakae, K Matsumoto, ...
Angewandte Chemie International Edition 56 (5), 1298-1302, 2017
Stereoelectronic Interactions as a Probe for the Existence of the Intramolecular α-Effect
E Juaristi, G dos Passos Gomes, AO Terent’ev, R Notario, IV Alabugin
Journal of the American Chemical Society 139 (31), 10799-10813, 2017
Synthesis of functionalized phenanthrenes via regioselective oxidative radical cyclization
K Pati, C Michas, D Allenger, I Piskun, PS Coutros, GP Gomes, ...
The Journal of Organic Chemistry 80 (23), 11706-11717, 2015
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