Publications

36 results for Kristin Schmidt

Safer materials advisor: Identification and characterization of materials of concerns
- - Viviane T. Silva
  - Kristin Schmidt
  - et al.
- 2026
- ACS Spring 2026
Poster
AccFG: Accurate Functional Group Extraction and Molecular Structure Comparison
- - Xuan Liu
  - Sarathkrishna Swaminathan
  - et al.
- 2025
- J. Chem. Inf. Model.
Paper
An open-source family of large encoder-decoder foundation models for chemistry
- - Eduardo Soares
  - Emilio Vital Brazil
  - et al.
- 2025
- Communications Chemistry
Paper
A Mamba-Based Foundation Model for Materials
- - Eduardo Almeida Soares
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- NPJ AI
Paper
SMI-TED: A large-scale foundation model for materials and chemistry
- - Eduardo Almeida Soares
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ICLR 2025
Workshop paper
Open-source large-scale foundation model for chemistry
- - Eduardo Almeida Soares
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ACS Spring 2025
Talk
ChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional Assistants
- - Tim Erdmann
  - Stefan Zecevic
  - et al.
- 2025
- ACS Spring 2025
Talk
Causality-driven feature selection and domain adaptation for enhancing chemical foundation models in downstream tasks
- - Eduardo Soares
  - Victor Yukio Shirasuna
  - et al.
- 2025
- Machine Learning Science and Technology
Paper
A Mamba-Based Foundation Model for Chemistry
- - Emilio Ashton Vital Brazil
  - Eduardo Almeida Soares
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- - Victor Shirasuna
  - Eduardo Almeida Soares
  - et al.
- 2024
- NeurIPS 2024
Workshop paper