Computational screening of solid sorbent materials for CO2 capture from molecular to process level
- Rodrigo Neumann Barros Ferreira
- Binquan Luan
- et al.
- 2023
- ACS Spring 2023
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139 results for Mathias B Steiner
Quantum Informed Machine-Learning Potentials for Molecular Dynamics Simulations of CO2’s Chemisorption and Diffusion in Mg-MOF-74
- Bowen Zheng
- Felipe Lopes Oliveira
- et al.
- 2023
- ACS Nano
Automatic, physical data extraction from scientific publications for application to generative molecular design in computational materials discovery
- Ronaldo Giro
- Mohab Elkaref
- et al.
- 2023
- APS March Meeting 2023
Quantum informed machine-learning potentials for modeling CO2 adsorption in metal organic frameworks
- Binquan Luan
- Bowen Zheng
- et al.
- 2023
- APS March Meeting 2023
Extensive Attention Mechanisms in Graph Neural Networks for Materials Discovery
- Guojing Cong
- Talia Ben Naim
- et al.
- 2022
- ICDM 2022
Modeling carbon dioxide trapping at microscopic pore scale with digital rock representations
- Jaione Tirapu-Azpiroz
- Rodrigo Neumann Barros Ferreira
- et al.
- 2023
- SPIE Photonics West 2023
New-Generation Anion-Pillared Metal–Organic Frameworks with Customized Cages for Highly Efficient CO2 Capture
- Yongqi Hu
- Yunjia Jiang
- et al.
- 2023
- Advanced Functional Materials
Screening Hoffman-type metal organic frameworks for efficient C2H2/CO2 separation
- Wushuang Lou
- Jiahao Li
- et al.
- 2023
- CEJ
Automated Artificial-intelligence Inverse Design of Polymer Membranes for CO2 Capture and Separation
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2022
- MRS Fall Meeting 2022
A Data-driven Discovery Pipeline for Flue Gas Separation Homopolymer Membranes
- Hsianghan Hsu
- Matteo Manica
- et al.
- 2022
- MRS Fall Meeting 2022