Discovery of novel reticular materials for carbon dioxide capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2024
- Digital Discovery
Publications
142 results for Mathias B Steiner
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2023
- NeurIPS 2023
In-silico Polymer Generation using fine-tuned Regression Transformers with Open Reference Data
- Ronaldo Giro
- Hsiang Han Hsu
- et al.
- 2023
- MRS Fall Meeting 2023
An Integrated Modeling Framework for Screening CO2 Capture Materials
- Yogesh Joshi
- Ashish Mhadeshwar
- et al.
- 2023
- AIChE 2023
Active learning enhanced screening of CO2 capture materials
- Anantha Sundaram
- Yogesh Joshi
- et al.
- 2023
- AIChE 2023
How water adsorbed on porous graphene affects CO2 capture and separation
- Zonglin Gu
- Zhaolu Cai
- et al.
- 2023
- CEJ
Discovery of Sustainable Materials for Tackling Climate Change
- 2023
- Shell.ai Scientific Conference 2023
MDLab: AI frameworks for carbon capture and battery materials
- Bruce Elmegreen
- Hendrik F. Hamann
- et al.
- 2023
- Frontiers in Environmental Science
Exploring the impact of molecular force fields on the computational screening of COFs for carbon capture
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- ACS Fall 2023
Multi-modal and multi-scale screening of solid sorbent materials for gas capture: The importance of adsorption kinetics
- Rodrigo Neumann Barros Ferreira
- Felipe Lopes de Oliveira
- et al.
- 2023
- ACS Fall 2023