Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2023
- NeurIPS 2023
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31 results for Flaviu Cipcigan
A Framework for Toxic PFAS Replacement based on GFlowNet and Chemical Foundation Model
- 2023
- NeurIPS 2023
MDLab: AI frameworks for carbon capture and battery materials
- Bruce Elmegreen
- Hendrik F. Hamann
- et al.
- 2023
- Frontiers in Environmental Science
Machine Guided Discovery of Novel Carbon Capture Solvents
- Theodore Van Kessel
- Flaviu Cipcigan
- et al.
- 2023
- ACS Fall 2023
MDLab: AI frameworks for Carbon Capture and Battery Materials
- Bruce Elmegreen
- Hendrik Hamann
- et al.
- 2023
- ICR 2023
AI Toolkit for Accelerated Nanoporous Material Discovery
- Jonathan Booth
- Daniel Cunnington
- et al.
- 2022
- MRS Fall Meeting 2022
Chemical space analysis and property prediction for carbon capture amine molecules
- James McDonagh
- Stamatia Zavitsanou
- et al.
- 2022
- ChemRxiv
Accelerated Discovery of Novel Solvents for CO2 Capture
- Benjamin Wunsch
- Stacey Gifford
- et al.
- 2021
- MRS Fall Meeting 2021
Computational and experimental design of solvents for CO2 capture
- Flaviu Cipcigan
- James McDonagh
- et al.
- 2021
- ACS Fall 2021
Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
- Payel Das
- Tom Sercu
- et al.
- 2021
- Nature Biomedical Engineering