Publications

632 results for Accelerated Discovery

Application of Organic Catalysis and Sustainable Chemistry Towards Materials Discovery
- - James Hedrick
- 2023
- ACS Fall 2023
Invited talk
Synthesis Platforms for Generating High-Quality Polymer Datasets Utilizing Continuous and Discontinuous Reaction Setups
- - Tim Erdmann
  - Nathaniel Park
  - et al.
- 2023
- ACS Fall 2023
Talk
Predicting the right Reaction Solvents in Organic Synthesis using Artificial Intelligence
- - Oliver Schilter
  - Carlo Baldassari
  - et al.
- 2023
- ACS Fall 2023
Talk
Combining molecular simulation and AI for antibody design against cancer immunotherapy targets
- - Jeff Weber
- 2023
- ACS Fall 2023
Talk
Molecular dynamics as a data source: scaling simulation for building AI models
- - Joseph Morrone
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Talk
AI-directed discovery of high entropy electrolyte formulations for batteries using interhalogen cathodes and lithium metal anodes
- - Maxwell Giammona
  - Vidushi Sharma
  - et al.
- 2023
- ACS Fall 2023
Talk
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility
- - Seung Gu Kang
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Talk
Topology-driven pre-training for robust molecular property prediction models
- - Aldo Guzmán-Sáenz
  - Sanjoy Dey
  - et al.
- 2023
- ACS Fall 2023
Talk
Automatic structure elucidation from NMR spectra
- - Marvin Alberts
  - Federico Zipoli
  - et al.
- 2023
- ACS Fall 2023
Talk
Seeing the unseen: leveraging vision models to extract digital fingerprints of complex liquids
- - Gianmarco Gabrieli
  - Matteo Manica
  - et al.
- 2023
- ACS Fall 2023
Talk