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Rafael Gomez-Bombarelli, Ph.D.

Affiliations:	2001-2011		Universidad de Salamanca, Spain
	2012-2014		Heriot-Watt University, Edinburgh, Scotland, UK
	2014-2016	Chemistry	Harvard University, Cambridge, MA, United States
	2018-	Materials Science and Engineering	Massachusetts Institute of Technology, Cambridge, MA, United States

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"Rafael Gomez-Bombarelli"

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Parents

Julio Casado	grad student	2006-2011	Universidad de Salamanca
Alán Aspuru-Guzik	post-doc	2014-2016	Harvard

Children

Kevin P. Greenman	grad student	2019-	MIT
Alexander John Hoffman	post-doc	2022-	MIT

Collaborators

Jeremiah A. Johnson	collaborator
Brad L. Pentelute	collaborator

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Publications

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Koscher BA, Canty RB, McDonald MA, et al. (2023) Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back. Science (New York, N.Y.). 382: eadi1407
AlFaraj YS, Mohapatra S, Shieh P, et al. (2023) A Model Ensemble Approach Enables Data-Driven Property Prediction for Chemically Deconstructable Thermosets in the Low-Data Regime. Acs Central Science. 9: 1810-1819
Stolberg MA, Paren BA, Leon PA, et al. (2023) Lamellar Ionenes with Highly Dissociative, Anionic Channels Provide Lower Barriers for Cation Transport. Journal of the American Chemical Society
Bradford G, Lopez J, Ruza J, et al. (2023) Chemistry-Informed Machine Learning for Polymer Electrolyte Discovery. Acs Central Science. 9: 206-216
Xie T, France-Lanord A, Wang Y, et al. (2022) Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties. Nature Communications. 13: 3415
Greenman KP, Green WH, Gómez-Bombarelli R. (2022) Multi-fidelity prediction of molecular optical peaks with deep learning. Chemical Science. 13: 1152-1162
Nguyen HV, Jiang Y, Mohapatra S, et al. (2021) Bottlebrush polymers with flexible enantiomeric side chains display differential biological properties. Nature Chemistry
Hartweg M, Jiang Y, Yilmaz G, et al. (2021) Synthetic Glycomacromolecules of Defined Valency, Absolute Configuration, and Topology Distinguish between Human Lectins. Jacs Au. 1: 1621-1630
Qiao B, Mohapatra S, Lopez J, et al. (2020) Quantitative Mapping of Molecular Substituents to Macroscopic Properties Enables Predictive Design of Oligoethylene Glycol-Based Lithium Electrolytes. Acs Central Science. 6: 1115-1128
Wang W, Yang T, Harris WH, et al. (2020) Active learning and neural network potentials accelerate molecular screening of ether-based solvate ionic liquids. Chemical Communications (Cambridge, England)

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