Prediction of CO2 Adsorption in Nano-Pores with Graph Neural Networks
- GUOJING CONG
- Anshul Gupta
- et al.
- 2022
- AAAI 2022
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6 results for Breanndan O'Conchuir
Effect of Partial Charges on the Data-Driven Analytics of CO2 Adsorption Metrics
- Breanndan O'Conchuir
- Binquan Luan
- et al.
- 2022
- ACS Fall 2022
The role of partial charges in data-driven analytics of gas adsorption simulations
- Binquan Luan
- Rodrigo Neumann Barros Ferreira
- et al.
- 2022
- APS March Meeting 2022
Automated AI-driven screening of nanoporous materials for enhanced carbon dioxide adsorption
- Breanndan O'Conchuir
- Rodrigo Neumann Barros Ferreira
- et al.
- 2021
- MRS Fall Meeting 2021
Cloud-Based, High-Throughput, End-To-End Computational Screening of Solid Sorbent Materials for Carbon Capture
- Rodrigo Neumann Barros Ferreira
- Breanndan O'Conchuir
- et al.
- 2022
- GHGT 2022
MDLab: AI frameworks for Carbon Capture and Battery Materials
- Bruce Elmegreen
- Hendrik Hamann
- et al.
- 2025
- Frontiers in Environmental Science