Comparative Study of Open-source LLMs for text classification and knowledge extraction in the Material Discovery DomainViviane T. SilvaAnaximandro Souzaet al.2025ACS Spring 2025
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literatureViviane T. SilvaAlexandre Rademakeret al.2024NeurIPS 2024
Predicting polymerization reactions via transfer learning using chemical language modelsRonaldo GiroBrenda S. Ferrariet al.2024ACS Fall 2024
Dataset of Reticular Materials' Syntheses Automatically Created from PDFs by using LLMsViviane T. SilvaRodrigo Neumann Barros Ferreiraet al.2024ACS Fall 2024
Pore-scale flow simulator for studying carbon dioxide capillary trapping under varying wettability scenariosJaione Tirapu AzpirozRodrigo Neumann Barros Ferreiraet al.2024LAMIC 2024
Predicting polymerization reactions via transfer learning using chemical language modelsBrenda de Souza FerrariMatteo Manicaet al.2024npj Computational Materials
CO2 capillary trapping under varying wettability scenariosJaione Tirapu AzpirozRodrigo Neumann Barros Ferreiraet al.2024APS March Meeting 2024
In-silico Polymer Generation using fine-tuned Regression Transformers with Open Reference DataRonaldo GiroHsiang Han Hsuet al.2023MRS Fall Meeting 2023
Geometry evolution of porous media due to coupled reactive-transport processes within capillary networksDavid Alejandro Lazo VasquezJaione Tirapu Azpirozet al.2023ACS Fall 2023
Automatic, physical data extraction from scientific publications for application to generative molecular design in computational materials discoveryRonaldo GiroMohab Elkarefet al.2023APS March Meeting 2023