Improving Polymer Property Predictions with Geometric Information in Equivariant Graph Neural Networks
- Ronaldo Giro
- Thiago Reschutzegger
- et al.
- 2025
- ACS Fall 2025
Publications
22 results for Ronaldo Giro
Comparative Study of Open-source LLMs for text classification and knowledge extraction in the Material Discovery Domain
- Viviane T. Silva
- Anaximandro Souza
- et al.
- 2025
- ACS Spring 2025
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
- Viviane T. Silva
- Alexandre Rademaker
- et al.
- 2024
- NeurIPS 2024
Dataset of Reticular Materials' Syntheses Automatically Created from PDFs by using LLMs
- Viviane T. Silva
- Rodrigo Neumann Barros Ferreira
- et al.
- 2024
- ACS Fall 2024
Predicting polymerization reactions via transfer learning using chemical language models
- Ronaldo Giro
- Brenda S. Ferrari
- et al.
- 2024
- ACS Fall 2024
Pore-scale flow simulator for studying carbon dioxide capillary trapping under varying wettability scenarios
- Jaione Tirapu Azpiroz
- Rodrigo Neumann Barros Ferreira
- et al.
- 2024
- LAMIC 2024
CO2 capillary trapping under varying wettability scenarios
- Jaione Tirapu Azpiroz
- Rodrigo Neumann Barros Ferreira
- et al.
- 2024
- APS March Meeting 2024
In-silico Polymer Generation using fine-tuned Regression Transformers with Open Reference Data
- Ronaldo Giro
- Hsiang Han Hsu
- et al.
- 2023
- MRS Fall Meeting 2023
Geometry evolution of porous media due to coupled reactive-transport processes within capillary networks
- David Alejandro Lazo Vasquez
- Jaione Tirapu Azpiroz
- et al.
- 2023
- ACS Fall 2023
Automatic, physical data extraction from scientific publications for application to generative molecular design in computational materials discovery
- 2023
- APS March Meeting 2023