Rafael Gómez-Bombarelli

Citované v

	Všetky	Od 2020
Citácie	15425	12682
h-index	45	42
i10-index	87	74

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2015201620172018201920202021202220232024202545 101 362 759 1217 1660 2112 2359 2824 3114 612

Verejný prístup

všetky položky

68 článkov

4 články

dostupné

nedostupné

Na základe mandátov na financovanie

Spoluautori

Jorge Aguilera-IparraguirreRecursion PharmaceuticalsOverená e-mailová adresa na: recursionpharma.com
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Overená e-mailová adresa na: utoronto.ca
Daniel Schwalbe-KodaUCLAOverená e-mailová adresa na: ucla.edu
Ryan P. AdamsPrinceton UniversityOverená e-mailová adresa na: princeton.edu
David DuvenaudAssociate Professor, University of TorontoOverená e-mailová adresa na: cs.toronto.edu
Simon AxelrodD. E. Shaw ResearchOverená e-mailová adresa na: deshawresearch.com
Dougal MaclaurinPhD student, Harvard UniversityOverená e-mailová adresa na: physics.harvard.edu
Somesh MohapatraMassachusetts Institute of TechnologyOverená e-mailová adresa na: mit.edu
Wujie WangGenerate Biomedicines, Inc.Overená e-mailová adresa na: mit.edu
Yuriy Román-LeshkovProfessor of Chemical Engineering, MITOverená e-mailová adresa na: mit.edu
AVELINO CORMA CANOSInstituto de Tecnología Química, Universitat Politècnica de València-Consejo Superior deOverená e-mailová adresa na: itq.upv.es
Michael J. AzizGene and Tracy Sykes Professor of Materials and Energy Technologies, Harvard School of EngineeringOverená e-mailová adresa na: harvard.edu
Marc BaldoMIT, Dept of Electrical Engineering and Computer ScienceOverená e-mailová adresa na: mit.edu
Elsa OlivettiMassachusetts Institute of TechnologyOverená e-mailová adresa na: mit.edu
José Miguel Hernández-LobatoProfessor of Machine Learning, University of CambridgeOverená e-mailová adresa na: cam.ac.uk
Benjamin Sanchez-LengelingAssistant Professor at University of TorontoOverená e-mailová adresa na: google.com
Jennifer N WeiOpen Molecular Software FoundationOverená e-mailová adresa na: omsf.io
Brendon LovettProfessor of Physics, University of St AndrewsOverená e-mailová adresa na: st-andrews.ac.uk
Daniel P. TaborTexas A&M University (Department of Chemistry)Overená e-mailová adresa na: chem.tamu.edu
Elinor K. IrishLecturer, Physics and Astronomy, University of SouthamptonOverená e-mailová adresa na: soton.ac.uk

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Rafael Gómez-Bombarelli

Associate Professor, MIT DMSE

Overená e-mailová adresa na: mit.edu - Domovská stránka

computational materials science machine learning inverse design atomistic simulations


Názov Zoradiť podľa citácií Zoradiť podľa roka Zoradiť podľa názvu	Citované v Citované v	Rok
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	4580	2015
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	3731	2018
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	1044	2016
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	582	2016
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	346	2019
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 (1), 195-216, 2015	342	2015
GEOM, energy-annotated molecular conformations for property prediction and molecular generation S Axelrod, R Gomez-Bombarelli Scientific Data 9 (1), 185, 2022	315	2022
Anthraquinone derivatives in aqueous flow batteries MR Gerhardt, L Tong, R Gómez‐Bombarelli, Q Chen, MP Marshak, ... Advanced energy materials 7 (8), 1601488, 2017	277	2017
Forces are not enough: Benchmark and critical evaluation for machine learning force fields with molecular simulations X Fu, Z Wu, W Wang, T Xie, S Keten, R Gomez-Bombarelli, T Jaakkola arXiv preprint arXiv:2210.07237, 2022	205	2022
Coarse-graining auto-encoders for molecular dynamics W Wang, R Gómez-Bombarelli npj Computational Materials 5 (1), 125, 2019	195	2019
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	178	2019
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	133	2021
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	129	2017
Neural scaling of deep chemical models NC Frey, R Soklaski, S Axelrod, S Samsi, R Gomez-Bombarelli, CW Coley, ... Nature Machine Intelligence 5 (11), 1297-1305, 2023	105	2023
An end-to-end framework for molecular conformation generation via bilevel programming M Xu, W Wang, S Luo, C Shi, Y Bengio, R Gomez-Bombarelli, J Tang International conference on machine learning, 11537-11547, 2021	102	2021
Generative models for automatic chemical design D Schwalbe-Koda, R Gómez-Bombarelli Machine Learning Meets Quantum Physics, 445-467, 2020	99	2020
Convolutional networks on graphs for learning molecular fingerprints. arXiv 2015 D Duvenaud, D Maclaurin, J Aguilera-Iparraguirre, R Gómez-Bombarelli, ... arXiv preprint arXiv:1509.09292, 2015	99	2015
Human-and machine-centred designs of molecules and materials for sustainability and decarbonization J Peng, D Schwalbe-Koda, K Akkiraju, T Xie, L Giordano, Y Yu, CJ Eom, ... Nature Reviews Materials 7 (12), 991-1009, 2022	96	2022
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	94	2017
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	91	2013

Systém momentálne nemôže vykonať operáciu. Skúste to neskôr.

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