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Rafael Gómez-Bombarelli
Rafael Gómez-Bombarelli
Assistant Professor, MIT DMSE
Verified email at mit.edu - Homepage
Title
Cited by
Cited by
Year
Convolutional networks on graphs for learning molecular fingerprints
DK Duvenaud, D Maclaurin, J Iparraguirre, R Bombarell, T Hirzel, ...
Advances in neural information processing systems 28, 2015
32382015
Automatic chemical design using a data-driven continuous representation of molecules
R Gómez-Bombarelli, JN Wei, D Duvenaud, JM Hernández-Lobato, ...
ACS central science 4 (2), 268-276, 2018
21762018
Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach
R Gómez-Bombarelli, J Aguilera-Iparraguirre, TD Hirzel, D Duvenaud, ...
Nature materials 15 (10), 1120-1127, 2016
7262016
A redox-flow battery with an alloxazine-based organic electrolyte
K Lin, R Gómez-Bombarelli, ES Beh, L Tong, Q Chen, A Valle, ...
Nature Energy 1 (9), 1-8, 2016
4622016
What is high-throughput virtual screening? A perspective from organic materials discovery
EO Pyzer-Knapp, C Suh, R Gómez-Bombarelli, J Aguilera-Iparraguirre, ...
Annual Review of Materials Research 45, 195-216, 2015
2282015
Anthraquinone derivatives in aqueous flow batteries
MR Gerhardt, L Tong, R Gómez‐Bombarelli, Q Chen, MP Marshak, ...
Advanced energy materials 7 (8), 1601488, 2017
2162017
Data-driven modeling and learning in science and engineering
FJ Montáns, F Chinesta, R Gómez-Bombarelli, JN Kutz
Comptes Rendus Mécanique 347 (11), 845-855, 2019
1522019
Coarse-graining auto-encoders for molecular dynamics
W Wang, R Gómez-Bombarelli
npj Computational Materials 5 (1), 125, 2019
1222019
Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries
DP Tabor, R Gómez-Bombarelli, L Tong, RG Gordon, MJ Aziz, ...
Journal of Materials Chemistry A 7 (20), 12833-12841, 2019
1052019
An Alternative Host Material for Long‐Lifespan Blue Organic Light‐Emitting Diodes Using Thermally Activated Delayed Fluorescence
SG Ihn, N Lee, SO Jeon, M Sim, H Kang, Y Jung, DH Huh, YM Son, ...
Advanced Science 4 (8), 1600502, 2017
922017
Mechanisms of lactone hydrolysis in neutral and alkaline conditions
R Gómez-Bombarelli, E Calle, J Casado
The Journal of organic chemistry 78 (14), 6868-6879, 2013
652013
GEOM, energy-annotated molecular conformations for property prediction and molecular generation
S Axelrod, R Gomez-Bombarelli
Scientific Data 9 (1), 185, 2022
612022
Generative models for automatic chemical design
D Schwalbe-Koda, R Gómez-Bombarelli
Machine Learning Meets Quantum Physics, 445-467, 2020
602020
UV-Vis spectrophotometry of quinone flow battery electrolyte for in situ monitoring and improved electrochemical modeling of potential and quinhydrone formation
L Tong, Q Chen, AA Wong, R Gómez-Bombarelli, A Aspuru-Guzik, ...
Physical Chemistry Chemical Physics 19 (47), 31684-31691, 2017
542017
A priori control of zeolite phase competition and intergrowth with high-throughput simulations
D Schwalbe-Koda, S Kwon, C Paris, E Bello-Jurado, Z Jensen, E Olivetti, ...
Science 374 (6565), 308-315, 2021
492021
Vibration-assisted resonance in photosynthetic excitation-energy transfer
EK Irish, R Gómez-Bombarelli, BW Lovett
Physical Review A 90 (1), 012510, 2014
492014
Graph similarity drives zeolite diffusionless transformations and intergrowth
D Schwalbe-Koda, Z Jensen, E Olivetti, R Gómez-Bombarelli
Nature materials 18 (11), 1177-1181, 2019
462019
Computational calculation of equilibrium constants: Addition to carbonyl compounds
R Gómez-Bombarelli, M González-Pérez, MT Pérez-Prior, E Calle, ...
The Journal of Physical Chemistry A 113 (42), 11423-11428, 2009
462009
Photocell optimization using dark state protection
A Fruchtman, R Gómez-Bombarelli, BW Lovett, EM Gauger
Physical review letters 117 (20), 203603, 2016
402016
Mechanisms of lactone hydrolysis in acidic conditions
R Gómez-Bombarelli, E Calle, J Casado
The Journal of organic chemistry 78 (14), 6880-6889, 2013
402013
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Articles 1–20