Rafael Gomez-Bombarelli

Assistant Professor

Massachusetts Institute of Technology

United States

Research Interests

Explore related searches

Professors in United States Professors in Materials Science Materials Science professors in United States

Contact this professor

Get a free first email built on one of their papers, ready for you to edit and send yourself.

About

Rafael Gomez-Bombarelli is an Assistant Professor at the Massachusetts Institute of Technology, USA. His research areas include machine learning applications in catalysis, materials discovery, and the development of reactive potential models. His recent publications focus on topics such as oxygen electrocatalysis, thermoset resins, and data-driven approaches to understand complex chemical systems.

Articles (26)

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Collaborators (11)

Manuel Moliner

Professor

Universitat Politècnica de València

SPAIN

View details

Daniel Schwalbe-Koda

Assistant Professor

University of California, Los Angeles

UNITED STATES

View details

Jeffrey Moore

Professor

University of Illinois at Urbana-Champaign

UNITED STATES

View details

Jeffrey Lopez

Assistant Professor

Northwestern University

UNITED STATES

View details

Tom Willhammar

SWEDEN

View details

Eugene Shakhnovich

Harvard University

UNITED STATES

View details

Laurence Rongy

Professor

Université libre de Bruxelles

BELGIUM

View details

Kevin Greenman

Assistant Professor

Catholic University of America

ITALY

View details

Bradley Pentelute

Professor

Massachusetts Institute of Technology

UNITED STATES

View details

Jiayu Peng

Assistant Professor

University at Albany, State University of New York

UNITED STATES

View details

BYUNGCHAN HAN

Full Professor

Yonsei University

SOUTH KOREA

View details

ApplyKite TwinLearns as you apply

Make your next move.

Prepare your application

Review drafts before you send them.

Rafael Gomez-Bombarelli

Research Interests

Explore related searches

Contact this professor

About

Articles (26)

Towards atom-level understanding of metal oxide catalysts for the oxygen evolution reaction with machine learning

A Mechanism-Based Reaction–Diffusion Model for Accelerated Discovery of Thermoset Resins Frontally Polymerized by Olefin Metathesis

Reactive Processing of Furan‐Based Monomers via Frontal Ring‐Opening Metathesis Polymerization for High Performance Materials

Data-driven physics-informed descriptors of cation ordering in multicomponent perovskite oxides

Closing the Execution Gap in Generative AI for Chemicals and Materials: Freeways or Safeguards

One-Pot Synthesis of CHA/ERI-Type Zeolite Intergrowth from a Single Multiselective Organic Structure-Directing Agent

ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-Learning Rationalization of Hydrothermal Parameters

Modifying ring structures in lithium borate glasses under compression: MD simulations using a machine-learning potential

Active learning accelerated exploration of single-atom local environments in multimetallic systems for oxygen electrocatalysis

Machine Learning Guided AQFEP: A Fast and Efficient Absolute Free Energy Perturbation Solution for Virtual Screening

Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation

Learning a reactive potential for silica-water through uncertainty attribution

Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others

Graph theory-based structural analysis on density anomaly of silica glass

Simulations with machine learning potentials identify the ion conduction mechanism mediating non-Arrhenius behavior in LGPS

Learning pair potentials using differentiable simulations

Thermal Half-Lives of Azobenzene Derivatives: Virtual Screening Based on Intersystem Crossing Using a Machine Learning Potential

Chemistry-Informed Machine Learning for Polymer Electrolyte Discovery

Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back

Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

Machine-learning-accelerated simulations to enable automatic surface reconstruction

Effect of Framework Composition and NH<sub>3</sub> on the Diffusion of Cu<sup>+</sup> in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics

Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties

Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential

GEOM, energy-annotated molecular conformations for property prediction and molecular generation

Machine Learning Guides Peptide Nucleic Acid Flow Synthesis and Sequence Design

Collaborators (11)

Manuel Moliner

Daniel Schwalbe-Koda

Jeffrey Moore

Jeffrey Lopez

Tom Willhammar

Eugene Shakhnovich

Laurence Rongy

Kevin Greenman

Bradley Pentelute

Jiayu Peng

BYUNGCHAN HAN

Make your next move.