Publications

3552 results for Materials Discovery

Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- - Victor Shirasuna
  - Eduardo Almeida Soares
  - et al.
- 2024
- NeurIPS 2024
Workshop paper
Introduction to machine learning potentials for atomistic simulations
- - Fabian Thiemann
  - Niamh O’neill
  - et al.
- 2024
- Journal of Physics Condensed Matter
Review
Language models can identify enzymatic binding sites in protein sequences
- - Yves Gaetan Nana Teukam
  - Loïc Kwate Dassi
  - et al.
- 2024
- Computational And Structural Biotechnology Journal
Paper
Advancing Open-Source AI in Chemistry and Materials—From Foundation Models to Integrated Frameworks to Solve Global Challenges
- - Kristin Schmidt
  - Eduardo Almeida Soares
  - et al.
- 2024
- MRS Fall Meeting 2024
Invited talk
Domain-Specific Knowledge Integration Through Curriculum Learning Method in Machine Learning for Spectral Analysis
- - Hajime Shinohara
  - Akihiro Kishimoto
  - et al.
- 2024
- MRS Fall Meeting 2024
Talk
Foundation Models and Multi-Agent Systems for Polymer and Catalyst Design
- - Nathaniel Park
  - Tiffany Callahan
  - et al.
- 2024
- MRS Fall Meeting 2024
Talk
Complex Optimization Problem Solving with Low Variability Neuromorphic VO2-Based Oscillators
- - Olivier Maher
  - Valeria Bragaglia
  - et al.
- 2024
- MRS Fall Meeting 2024
Talk
The Evolving Role of Computation and AI in Catalyst Discovery
- - James Hedrick
  - Nathaniel Park
  - et al.
- 2024
- MRS Fall Meeting 2024
Talk
ALCHIMIA - Advanced Learning for Chemistry Interpretation and Integrated Molecule Analysis
- - Emilio Ashton Vital Brazil
  - Eduardo Almeida Soares
  - et al.
- 2024
- MRS Fall Meeting 2024
Poster
Transforming The Hybrid Cloud for Emerging AI Workloads
- - Deming Chen
  - Alaa Youssef
  - et al.
- 2024
- arXiv
Paper