Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2024
- arXiv
Paper
Publications
632 results for Accelerated Discovery
Surface reaction calculations with quantum computers for battery materials
- Marco Antonio Guimaraes Auad Barroca
- Rodrigo Neumann Barros Ferreira
- et al.
- 2024
- ACS Fall 2024
TalkDocling Technical Report
- 2024
- arXiv
PaperMoLMamba: A Large State-Space-based Foundation Model for Chemistry
- Eduardo Almeida Soares
- Victor Shirasuna
- et al.
- 2024
- ACS Fall 2024
Short paperHarnessing negative data for enhancing model learning in chemistry
- Alessandra Toniato
- Mara Graziani
- et al.
- 2024
- ACS Fall 2024
Invited talkSelecting Covalent Organic Frameworks for Gas Capture using micro-Raman Spectroscopy
- Geisa Lima
- Matheus Esteves Ferreira
- et al.
- 2024
- ACS Fall 2024
TalkCombining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- ACS Fall 2024
TalkLifecycle materials design tool
- Brandi Ransom
- Benjamin Wunsch
- et al.
- 2024
- ACS Fall 2024
TalkTowards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- Joseph Morrone
- Diwakar Mahajan
- et al.
- 2024
- ACS Fall 2024
TalkPredicting polymerization reactions via transfer learning using chemical language models
- Ronaldo Giro
- Brenda S. Ferrari
- et al.
- 2024
- ACS Fall 2024
Talk