Publications

8001 results for AI

An AI-assisted Workbench for Material Discovery
- - Emilio Ashton Vital Brazil
  - Renato Fontoura de Gusmao Cerqueira
  - et al.
- 2023
- ACS Fall 2023
Enhancing Molecular Properties Prediction through Multi-Stage Causal Feature Selection
- - Eduardo Almeida Soares
  - Karen Fiorella Aquino Gutierrez
  - et al.
- 2023
- ACS Fall 2023
Machine Guided Discovery of Novel Carbon Capture Solvents
- - Theodore Van Kessel
  - Flaviu Cipcigan
  - et al.
- 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
Automatic structure elucidation from NMR spectra
- - Marvin Alberts
  - Federico Zipoli
  - 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
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
Combining molecular simulation and AI for antibody design against cancer immunotherapy targets
- - Jeff Weber
- 2023
- ACS Fall 2023
Utilizing domain-specific languages as a tools for enabling AI-guided materials design
- - Nathaniel Park
- 2023
- ACS Fall 2023
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