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SMI-TED: A large-scale foundation model for materials and chemistryEduardo Almeida SoaresEmilio Ashton Vital Brazilet al.2025ICLR 2025
ChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional AssistantsTim ErdmannStefan Zecevicet al.2025ACS Spring 2025
Open-source large-scale foundation model for chemistryEduardo Almeida SoaresEmilio Ashton Vital Brazilet al.2025ACS Spring 2025
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream TasksVictor ShirasunaEduardo Almeida Soareset al.2024NeurIPS 2024
A Mamba-Based Foundation Model for ChemistryEmilio Ashton Vital BrazilEduardo Almeida Soareset al.2024NeurIPS 2024
Advancing Open-Source AI in Chemistry and Materials—From Foundation Models to Integrated Frameworks to Solve Global ChallengesKristin SchmidtEduardo Almeida Soareset al.2024MRS Fall Meeting 2024
ChemChat—Recent Advances in Democratizing and Facilitating Access to Domain-Specific AI/ML Through LLM-Powered Conversational AssistantsTim ErdmannStefan Zecevicet al.2024MRS Fall Meeting 2024
Accessibility of Ring-closing depolymerization for polycarbonates with multiple theory validationBrandi RansomDmitry Zubarevet al.2024MRS Spring Meeting 2024
ChemChat | Conversational Expert Assistant in Material Science and Data VisualizationTim ErdmannStefan Zecevicet al.2024ACS Spring 2024