Computational Materials Discovery for Carbon Dioxide Capture Applications
- 2024
- APS March Meeting 2024
Publications
156 results for Mathias B Steiner
Machine-Learning Potentials for Simulating CO2 Chemisorption
- Binquan Luan
- Carine Dos Santos
- et al.
- 2024
- APS March Meeting 2024
CO2 capillary trapping under varying wettability scenarios
- Jaione Tirapu Azpiroz
- Rodrigo Neumann Barros Ferreira
- et al.
- 2024
- APS March Meeting 2024
Discovery of novel reticular materials for carbon dioxide capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2024
- Digital Discovery
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
An Integrated Modeling Framework for Screening CO2 Capture Materials
- Yogesh Joshi
- Ashish Mhadeshwar
- et al.
- 2023
- AIChE 2023
How water adsorbed on porous graphene affects CO2 capture and separation
- Zonglin Gu
- Zhaolu Cai
- et al.
- 2023
- CEJ