Rafael Gomez-Bombarelli

Presentation History

2024 MRS Fall Meeting & Exhibit

Deconvolving Lithium Diffusion Mechanisms for Solid Polymer Electrolyte Systems Through Graph Neural Network-Enabled Geometric Analysis of Local Structure in Amorphous Polyethylene Oxide Simulations

Dec 6, 2024, 9:45 AM

2024 MRS Fall Meeting & Exhibit

High-Throughput Virtual Screening of Polymer Electrolytes with Molecular Dynamics Simulations

Dec 5, 2024, 9:00 AM

2024 MRS Fall Meeting & Exhibit

Known Unknowns—Out-of-Distribution Property Prediction in Materials

Dec 4, 2024, 8:00 PM

2024 MRS Fall Meeting & Exhibit

Reinforcement Learning Accelerated Atomistic Surface Reconstruction in Semi-Grand Canonical Ensemble

Dec 4, 2024, 10:45 AM

2024 MRS Fall Meeting & Exhibit

Representation Learning of Porous Materials for Zeolite Synthesis

Dec 3, 2024, 9:15 AM

2024 MRS Fall Meeting & Exhibit

Scalable Message Passing Neural Network Interatomic Potentials for Designing and Validating Radiation Resistant V-Cr-Ti-W-Zr Alloys

Dec 2, 2024, 4:45 PM

2024 MRS Fall Meeting & Exhibit

Accelerating Thermodynamic Simulations of Electrochemical Interfaces at the Atomic Scale

Dec 2, 2024, 2:00 PM

2024 MRS Spring Meeting

High Throughput Virtual Screening of Polymer Electrolyes for Li-Ion Batteries with Molecular Dynamics Simulations

Apr 25, 2024, 5:00 PM

2024 MRS Spring Meeting

Predicting The Structure and Properties of Bulk and Surface Perovskite Oxides with Machine Learning and Simulations

Apr 24, 2024, 3:30 PM

2024 MRS Spring Meeting

Anion Charge Distribution Effects of Lithium Diffusion in Polymer Electrolytes Using End to End Force Field Parameterization through Machine Learning

Apr 24, 2024, 2:00 PM

2023 MRS Spring Meeting

End to End Force Field Parametrization for Polymer Electrolytes Using Machine Learning

Apr 13, 2023, 4:15 PM

2023 MRS Spring Meeting

Investigating the Stability of Organic Electrolytes for Lithium-Air Batteries with High-Throughput Simulations

Apr 13, 2023, 9:15 AM

2023 MRS Spring Meeting

Adversarial Sampling of Geometries Using Uncertainty Quantification from Single Neural Networks

Apr 13, 2023, 8:45 AM

2023 MRS Spring Meeting

Bridging the gap between experiment and computation in LGPS solid electrolyte with machine-learning potentials

Apr 11, 2023, 4:00 PM

2022 MRS Fall Meeting

Combining Density Functional Theory and Machine Learning for Compositional Optimization of Alloyed Perovskite Electrocatalysts

Dec 2, 2022, 4:15 PM

2022 MRS Fall Meeting

Sampling the Thermodynamics of Material Interfaces with Markov Chain Monte Carlo and Machine Learning

Dec 2, 2022, 9:15 AM

2022 MRS Fall Meeting

Effect of Paired Aluminum Sites on the Diffusion of [Cu(NH₃)₂]⁺ in Cu-CHA Predicted by Machine Learning Accelerated Molecular Dynamics

Dec 1, 2022, 9:00 AM

2022 MRS Fall Meeting

Graph Theory-Based Structural Analysis on Density Anomaly of Silica Glass

Nov 28, 2022, 8:00 PM

2022 MRS Fall Meeting

Data-Driven Property Prediction for Accelerated Discovery of Molecular Additives in Robust yet Chemically Deconstructable Thermoset Plastics

Nov 28, 2022, 11:45 AM

2022 MRS Fall Meeting

A Unified Active Learning Framework for Designing Energy-Relevant Molecules

Nov 28, 2022, 11:30 AM