Automatic structure elucidation from IR spectra
- 2023
- ACS Fall 2023
Publications
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Harnessing the Power of Language Models to Accelerate Material Design
- 2023
- ACS Fall 2023
Domain-specific languages as a tool for knowledge representation in polymer chemistry
- 2023
- ACS Fall 2023
Catalyst development for polymerization and CO2 capture, storage and upcycling to high value materials
- James Hedrick
- 2023
- ACS Fall 2023
Universal catalysts for CO2 capture, storage and upcycling to high value materials
- James Hedrick
- Dino Wu
- et al.
- 2023
- ACS Spring 2023
On the automation of de-novo molecular design and chemical synthesis planning: A case study on SARS-CoV-2
- Jannis Born
- Matteo Manica
- et al.
- 2021
- ACS Fall 2021
Transformer-based neural networks capture organic chemistry grammar from unsupervised learning of chemical reactions
- Philippe Schwaller
- Benjamin Hoover
- et al.
- 2021
- ACS Spring 2021
Foundation Models and Multi-Agent Systems for Polymer and Catalyst Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2024
- MRS Fall Meeting 2024
An Open Multi-Modal Foundation Model for Materials and Chemistry
- Seiji Takeda
- Indra Priyadarsini S
- et al.
- 2024
- MRS Fall Meeting 2024
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