Studying the physics of carbon dioxide storage at microscopic scale with simulations and experimentsMatheus Esteves FerreiraJaione Tirapu Azpirozet al.2022ACS Fall 2022
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworksFelipe Lopes de OliveiraConor Cleetonet al.2023ACS Spring 2023
Surface reaction calculations with quantum computers for battery materialsMarco Antonio Guimaraes Auad BarrocaRodrigo Neumann Barros Ferreiraet al.2024ACS Fall 2024
AI-Assisted Raman Spectral Peak Label AssignmentAdemir Ferreira Da SilvaMatheus Esteves Ferreiraet 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
Selecting Covalent Organic Frameworks for Gas Capture using micro-Raman SpectroscopyGeisa LimaMatheus Esteves Ferreiraet al.2024ACS Fall 2024
In-situ characterization of metal-organic frameworks: A combined DFT and micro-Raman spectroscopy approachMatheus Esteves FerreiraGeisa Limaet al.2024ACS Fall 2024
CO2 capillary trapping under varying wettability scenariosJaione Tirapu AzpirozRodrigo Neumann Barros Ferreiraet al.2024APS March Meeting 2024
Machine-Learning Potentials for Simulating CO2 ChemisorptionBinquan LuanCarine Dos Santoset al.2024APS March Meeting 2024
Geometry evolution of porous media due to coupled reactive-transport processes within capillary networksDavid Alejandro Lazo VasquezJaione Tirapu Azpirozet al.2023ACS Fall 2023