In-situ characterization of metal-organic frameworks: A combined DFT and micro-Raman spectroscopy approachMatheus Esteves FerreiraGeisa Limaet al.2024ACS Fall 2024
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view modelsJoseph MorroneDiwakar Mahajanet al.2024ACS Fall 2024
Using Domain Specific Languages to Enable Artificial Intelligence for Polymer and Catalyst DesignNathaniel ParkJannis Bornet al.2024MRS Spring Meeting 2024
ChemChat | Conversational Expert Assistant in Material Science and Data VisualizationTim ErdmannStefan Zecevicet al.2024ACS Spring 2024
Integrating ADME-Tox properties of PFAS described in public and private knowledge bases using WikidataGuilherme Augusto Ferreira LimaMarcelo Machadoet al.2024ACS Spring 2024
Advancing Molecular Property Prediction through Multi-view Latent Space FusionEduardo Almeida SoaresAkihiro Kishimotoet al.2024ACS Spring 2024
Multimodal Transformer models for Structure Elucidation from SpectraMarvin AlbertsAlain Vaucher2024ACS Spring 2024
Application of organic catalysis and ring-opening polymerization towards AI-assisted materials discoveryJames Hedrick2024ACS Spring 2024
CO2 capillary trapping under varying wettability scenariosJaione Tirapu AzpirozRodrigo Neumann Barros Ferreiraet al.2024APS March Meeting 2024