Publications

522 results for Accelerated Discovery

Catalyst development for polymerization and CO2 capture, storage and upcycling to high value materials
- - James Hedrick
- 2023
- ACS Fall 2023
Harnessing the Power of Language Models to Accelerate Material Design
- - Matteo Manica
- 2023
- ACS Fall 2023
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
PatCID: Large-scale chemical-structure database from images in patent documents
- - Ingmar Meijer
  - Valery Weber
  - et al.
- 2023
- ACS Fall 2023
Molecular dynamics as a data source: scaling simulation for building AI models
- - Joseph Morrone
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Automatic structure elucidation from NMR spectra
- - Marvin Alberts
  - Federico Zipoli
  - et al.
- 2023
- ACS Fall 2023
Understanding the role of mass transport and lithium interphase design in enabling conversion batteries
- - Murtaza Zohair
  - Maxwell Giammona
  - et al.
- 2023
- ACS Fall 2023
Combining molecular simulation and AI for antibody design against cancer immunotherapy targets
- - Jeff Weber
- 2023
- ACS Fall 2023
Characterization of small molecule latent spaces derived from a variety of generative molecule creation approaches
- - Wendy Cornell
- 2023
- ACS Fall 2023
Folding and misfolding of Huntingtin protein from a coevolutionary perspective
- - Leili Zhang
- 2023
- ACS Fall 2023